HOMCOS(prot_sch_conbars.cgi):

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		Contact Molecules for Homologous Proteins
[Full Bars]	[SiteTable]	Summary Bars[0.0 %]	[Back to Search Page]	[Back to HOMCOS]
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PID

QueryLength

Homolgous Sequence in PDB

UniProt Query

TITLE

1698727

306

500

YP_009725301.1()

QUERYSEQ

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDMLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGF
NIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
SGVTFQ

[BLAST file for PDB] (plain) (bar) (multiple alignment) [BLAST for UniProt: (plain) (bar) (multiple alignment) (PSSM file) ]

UniProt Feature Tables [YP_009725301.1()]

306
	region	name	description
	1-8	DISORDER	predicted by DISOPRED

MONOMER

306

pdb_id a¹ identity[%]² description

6xbi A 100.0 R1AB_SARS2 3C-like proteinase

1.a¹:asym_id for the homologue. 2.identity[%]²:sequence identity between the query and the homologue.

HETERO

306 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

6lu7[2] B N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/100.0 22
/22 R1AB_SARS2 3C-like proteinase

6lu7[2] B N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6xa4[6] B inhibitor UAW241[4 aa] A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

6xbh[2] B inhibitor UAW247[3 aa] A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

6xbi[1] C inhibitor UAW248[5 aa] A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

6xfn[2] B UAW243[4 aa] A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7aeg[1] B N-[(benzyloxy)carbonyl]-L-valyl-N-[(1S)-1-(carboxy.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7m2p[2] B Inhibitor 18 in bound form[4 aa] A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7rnw[1] E ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-AR.. C 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7rnw[1] H ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-AR.. C 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7z4s[1] C Macrocyclic peptide inhibitor[15 aa] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase nsp5

7z4s[1] D Macrocyclic peptide inhibitor[15 aa] A 100.0
/100.0 26
/26 R1A_SARS2 3C-like proteinase nsp5

7dvp[2] B R1AB_SARS2 nsp4/5 peptidyl substrate[10 aa] A 96.0
/99.7 25
/25 R1AB_SARS2 3C-like proteinase

7dvw[2] B R1AB_SARS2 nsp5/6 peptidyl substrate[9 aa] A 100.0
/99.7 22
/22 R1AB_SARS2 3C-like proteinase

7dvx[2] B R1AB_SARS2 nsp6/7 peptidyl substrate[10 aa] A 95.7
/99.7 23
/23 R1AB_SARS2 3C-like proteinase

7dvx[2] B R1AB_SARS2 nsp6/7 peptidyl substrate[10 aa] A 100.0
/99.7 1
/1 R1AB_SARS2 3C-like proteinase

7dw6[2] B R1AB_SARS2 nsp14/15 peptidyl substrate[8 aa] A 95.7
/99.7 23
/23 R1AB_SARS2 3C-like proteinase

7mb5[1] C R1AB_SARS2 SER-GLY-VAL-THR-PHE-GLN[6 aa] A 95.5
/99.7 22
/22 R1AB_SARS2 3C-like proteinase

7mb8[3] E R1AB_SARS2 SER-ALA-VAL-LYS-LEU-GLN[6 aa] A 95.2
/99.7 21
/21 R1AB_SARS2 3C-like proteinase

7n6n[1] C R1AB_SARS2 3C-like proteinase[5 aa] A 94.7
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7n6n[1] C R1AB_SARS2 3C-like proteinase[5 aa] B 100.0
/99.7 1
/1 R1AB_SARS2 3C-like proteinase

7n89[2] C ACE-SER-ALA-VAL-LEU-GLN-SER-GLY-PHE-NH2[10 aa] A 96.0
/99.7 25
/25 R1AB_SARS2 3C-like proteinase

8eir[2] C R1A_SARS2 nsp7-nsp10 of Replicase polyprotein 1a[10 aa] A 95.0
/99.7 20
/20 R1AB_SARS2 3C-like proteinase nsp5

7lmc[5] A R1AB_SARS2 Non-structural protein 4 peptide[6 aa] C 95.0
/99.7 20
/20 R1AB_SARS2 3C-like proteinase

7mgs[2] B SER-ALA-VAL-LEU-GLN-SER-GLY-PHE[8 aa] A 95.8
/99.7 24
/24 R1AB_SARS2 3C-like proteinase

7t70[1] D Nonstructural protein 4/5[12 aa] B 96.3
/99.7 27
/27 R1AB_SARS2 3C-like proteinase

7t8m[1] C Nonstructural protein 5/6[9 aa] A 95.8
/99.7 24
/24 R1AB_SARS2 3C-like proteinase

7tb2[2] B Nonstructural protein 12/13[8 aa] A 96.0
/99.7 25
/25 R1AB_SARS2 3C-like proteinase

7tbt[2] B Nonstructural protein 13/14[10 aa] A 95.8
/99.7 24
/24 R1AB_SARS2 3C-like proteinase

7tbt[2] B Nonstructural protein 13/14[10 aa] A 100.0
/99.7 2
/2 R1AB_SARS2 3C-like proteinase

7tc4[1] C Nonstructural protein 15/16[9 aa] A 95.5
/99.7 22
/22 R1AB_SARS2 3C-like proteinase

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

COMPOUND

306 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

5r7z[2] E HWH
~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethana.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

5r80[2] E RZG
methyl 4-sulfamoylbenzoate[14 atoms] A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

5r81[2] B RZJ
1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide.. A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

5r82[2] B RZS
6-(ethylamino)pyridine-3-carbonitrile[11 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

5re4[2] E SZY
N-(4-methylpyridin-3-yl)acetamide[11 atoms] A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

5re5[2] E T0J
N~1~-phenylpiperidine-1,4-dicarboxamide[18 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

5re8[2] E T0V
1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanami.. A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

5rea[2] E JGP
(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone[18.. A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

5reb[2] E T0Y
1-[(thiophen-3-yl)methyl]piperidin-4-ol[13 atoms] A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

5rec[2] E T1J
2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol[18 a.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5red[2] E JJG
4-[2-(phenylsulfanyl)ethyl]morpholine[15 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5ref[2] E 6SU
methyl 3-(methylsulfonylamino)benzoate[15 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

5reg[2] E LWA
(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carb.. A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

5rem[2] E T2J
1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one[1.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

5reo[2] E T2Y
N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide[14 at.. A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

5res[2] E T3V
1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}etha.. A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

5ret[2] E T47
1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-.. A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase

5rev[2] E T4J
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide[1.. A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

5rex[4] E T4V
1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

5rey[2] E T4Y
1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}et.. A 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase

5rez[2] E T54
(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamid.. A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

5rf3[2] E T5V
pyrimidin-5-amine[7 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

5rf4[2] E T5Y
pyridin-2-ol[7 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

5rf6[2] E NTG
5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile[15 at.. A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

5rf8[2] E SFY
4-amino-N-(pyridin-2-yl)benzenesulfonamide[17 atom.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5rf9[2] E S7D
1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-.. A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

5rff[2] E T6M
1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}etha.. A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

5rfg[2] E T6V
N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thioph.. A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

5rfl[2] E T7G
1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxami.. A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

5rfn[2] E T7P
N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thioph.. A 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase

5rft[2] E T8A
1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]e.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

5rfv[2] E T8J
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

5rfw[4] F T8M
1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1.. A 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase

5rfx[2] E T8P
1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one[1.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5rfz[2] E T8V
N-(2-chloropyridin-3-yl)acetamide[11 atoms] A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

5rg1[2] E T9J
Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosina.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

5rg2[2] E T9M
N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide[1.. A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

5rg3[2] F T9P
N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide[15 a.. A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

5rgi[2] E U0P
N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

5rgi[2] E U0P
N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

5rgj[2] E U0S
(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane[.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5rgl[2] E U0Y
1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]et.. A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

5rgo[2] E U1G
1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one[.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

5rgs[2] E S7V
[(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol[1.. A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

5rgt[2] F UHS
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl).. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

5rgu[2] B UGD
N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyri.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

5rgv[2] B UGG
2-(isoquinolin-4-yl)-N-phenylacetamide[20 atoms] A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase

5rgv[2] B UGG
2-(isoquinolin-4-yl)-N-phenylacetamide[20 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

5rgw[2] B UGM
2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide[.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

5rgz[2] B UH1
2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide[18 ato.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

5rh1[2] B UGV
2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamid.. A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase

5rh3[2] B UHA
(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pr.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

5rh4[2] B UHG
(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid[1.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5rh5[3] B UHV
N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-met.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

5rh6[2] F UHY
N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

5rh8[2] F UHM
2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benza.. A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase

5rhb[2] G USD
(E)-1-(pyrimidin-2-yl)methanimine[8 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

5rl1[2] B VEJ
N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

5rl2[2] B VEM
N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl).. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

5rl3[2] F VEP
N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

5sml[2] E O3R
6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyrid.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5smm[2] E O46
N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl.. A 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase

6m0k[2] F FJC
~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

6m2n[4] E 3WL
5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one[20 atom.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

6w63[4] B X77
N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino).. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

6wnp[6] B U5G
boceprevir (bound form)[37 atoms] A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

6wtk[4] B UED
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7qka[2] E UED
N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

6xb1[4] B NEN
1-ETHYL-PYRROLIDINE-2,5-DIONE[9 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

6xb2[2] C NEN
1-ETHYL-PYRROLIDINE-2,5-DIONE[9 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

6xqs[10] B SV6
(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyr.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

6xqt[4] C NNA
(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cy.. A 100.0
/100.0 25
/25 R1AB_SARS2 3C-like proteinase

6xr3[2] B V7G
N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hy.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

6ynq[2] B P6N
(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-on.. A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

6ynq[2] B P6N
(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-on.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6yvf[2] B A82
2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylid.. A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

6z2e[2] B Q5T
(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7a1u[2] B FUA
FUSIDIC ACID[37 atoms] A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7abu[2] B R6Q
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}.. A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7abu[2] B R6Q
1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}.. A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7adw[2] E R7Q
2-methyl-1-(4-methylphenyl)propan-1-one[12 atoms] A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

7aeh[4] F R8H
(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxid.. A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase nsp5

7aga[2] B LZE
4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidi.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7aha[2] J SIN
SUCCINIC ACID[8 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

7ak4[2] B CB1
5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE[18 atoms] A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7aku[2] B RN2
Calpeptin[26 atoms] A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7aku[2] B RN2
Calpeptin[26 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7amj[2] J RMZ
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7amj[2] J RMZ
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7ans[2] F RNW
2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7aph[2] B RT2
Tofogliflozin[28 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

7aqe[2] E RV5
N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperi.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7aqj[2] C RV8
Triglycidyl isocyanurate[21 atoms] A 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase

7au4[2] D RY5
(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spir.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

7au4[2] D RY5
(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spir.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7avd[1] D S1W
3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]ami.. B 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

7awu[2] B S8B
~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine.. A 90.9
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7aww[2] B CLU
2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE[14 at.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7ax6[2] B S8H
(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxi.. A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7axm[2] C 93J
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano.. A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

7axm[2] C 93J
(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano.. A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7axo[2] G QCP
AR-42[23 atoms] A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

7ay7[2] B S8T
9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]be.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7ay7[2] B S8T
9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]be.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7b2j[2] B SQ2
2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidi.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

7b2u[2] C SQ5
(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl).. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

7b2u[2] I SQ5
(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl).. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7b5z[2] F SYH
2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenep.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

7b77[2] F T0W
2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylm.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase nsp5

7be7[8] N ALD
N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy.. B 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7bfb[1] L 9JT
N-phenyl-2-selanylbenzamide[7 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 Main Protease

7bfb[1] O 9JT
N-phenyl-2-selanylbenzamide[7 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 Main Protease

7bij[2] E TU8
(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihy.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

7bij[2] E TU8
(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihy.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7buy[2] B JRY
hexylcarbamic acid[9 atoms] A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

7cb7[1] F B1S
(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7d3i[2] B GQU
(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluorany.. A 100.0
/100.0 19
/19 R1A_SARS2 3C-like proteinase

7d3i[2] B GQU
(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluorany.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7dgg[1] D H63
(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2.. B 100.0
/100.0 17
/17 R1A_SARS2 3C-like proteinase

7dgh[2] B H6F
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxid.. A 100.0
/100.0 23
/23 R1A_SARS2 3C-like proteinase

7dgh[2] B H6F
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxid.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7dgi[2] C H6L
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxid.. A 100.0
/100.0 20
/20 R1A_SARS2 3C-like proteinase

7dgi[1] D H6L
~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxid.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7dpu[2] C HER
7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl.. A 100.0
/100.0 16
/16 R1A_SARS2 3C-like proteinase

7e19[2] B HUO
(phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-be.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7e6k[2] B HYR
N-(2-phenoxyethyl)methanethioamide[12 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

7e6k[2] C HYR
N-(2-phenoxyethyl)methanethioamide[12 atoms] A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7e6k[2] D HYR
N-(2-phenoxyethyl)methanethioamide[12 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7en8[1] C J7R
~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbam.. A 100.0
/100.0 17
/17 R1A_SARS2 3C-like proteinase

7en8[1] D J7R
~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbam.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7en9[2] B J7O
5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-.. A 100.0
/100.0 17
/17 R1A_SARS2 3C-like proteinase

7faz[1] E 2RI
(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(.. B 100.0
/100.0 17
/17 R1A_SARS2 3C-like proteinase

7jq2[2] B VHM
N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7jq2[2] B VHM
N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7jt7[6] B TG3
ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-met.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7jw8[2] F BTB
2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PR.. A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7l0d[2] B 0EN
N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl).. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7l11[2] C XF1
2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bip.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7l12[2] B XF4
(5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7l14[2] C XFD
2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo.. A 100.0
/100.0 22
/22 R1AB_SARS2 3C-like proteinase

7l8i[4] C AG7
4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXA.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7l8j[2] B AG7
4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXA.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7lco[2] B XTJ
(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7lco[2] B XTJ
(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7lcr[2] C XTM
N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7lcr[1] D XTM
N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7lcs[2] B XTP
benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7lcs[2] B XTP
benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7lct[2] B XU4
N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]pro.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7ldl[2] C XV4
N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7lme[2] C Y6J
~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7lme[2] D Y6J
~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7lmf[2] C Y6G
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7lmf[2] D Y6G
2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7ltj[4] B YD1
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7n8c[2] B YD1
6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7ltn[2] B YCV
2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-ph.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7ltn[2] B YCV
2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-ph.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7lyi[2] D YHI
benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxo.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7m8y[2] B YTM
5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7mat[1] E H37
D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-.. B 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7mau[1] E YVP
N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalany.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7mav[2] C YVY
N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalany.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase

7maw[2] C YVA
ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylp.. A 100.0
/100.0 22
/22 R1AB_SARS2 3C-like proteinase

7maw[2] D YVA
ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylp.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7max[2] C YV7
D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-ox.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7max[1] D YV7
D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-ox.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7maz[2] C YVD
4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7maz[2] D YVD
4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mb0[1] C YVG
D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-ox.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mb0[1] D YVG
D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-ox.. B 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7mb1[1] D YVJ
4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[.. B 100.0
/100.0 23
/23 R1AB_SARS2 3C-like proteinase

7mb2[2] C YVM
4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-ph.. A 100.0
/100.0 22
/22 R1AB_SARS2 3C-like proteinase

7mb2[2] D YVM
4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-ph.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mb3[3] G YVV
N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalany.. A 100.0
/100.0 23
/23 R1AB_SARS2 3C-like proteinase

7mb3[3] J YVV
N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalany.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mbi[3] F YWJ
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-.. B 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7mbi[3] H YWJ
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mbi[1] G FN7
2,4,6-trimethylpyridine-3-carboxylic acid[12 atoms.. B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7mlf[2] B C7A
N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohe.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7mlg[2] B ZJ1
(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino].. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7mng[2] B ZL7
(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmetha.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7mpb[1] E ASC
ASCORBIC ACID[12 atoms] B 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase

7nbt[2] C U7W
2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihy.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

7nbt[2] C U7W
2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihy.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7neo[2] C U9H
2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspi.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase nsp5

7neo[2] F U9H
2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspi.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7ntq[4] B 35J
N-(pyridin-3-ylmethyl)thioformamide[10 atoms] A 100.0
/100.0 12
/12 R1A_SARS2 3C-like proteinase

7p2g[1] B 4N0
(4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-di.. A 100.0
/100.0 14
/14 A0A7L9RWV7_SARS2 3C-like proteinase

7pfm[2] C 7IL
N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyri.. A 100.0
/100.0 15
/15 R1AB_SARS2 Replicase polyprotein 1ab

7q5e[2] C 90I
benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidi.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7q5f[2] C 90X
(S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-d.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7qbb[2] C V1B
7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]oct.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase nsp5

7qbb[2] C V1B
7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]oct.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7qt5[1] B GWS
2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide[16 atoms.. A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase nsp5

7qt9[1] B UJ1
N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-eth.. A 100.0
/100.0 16
/16 A0A7M2P846_SARS2 Non-structural protein 6

7r7h[2] C 4IT
N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidi.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7rbz[2] B 4IJ
5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carbo.. A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

7rc0[2] B 4I9
5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxyl.. A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

7rfr[1] D 4W8
(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-.. B 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7rls[2] B 5YN
6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl].. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7rm2[2] B 5YJ
6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-car.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7rmb[2] B 5Z7
6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7rme[2] B 5Z3
6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazin.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7rmt[2] B 5ZN
2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimid.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7rmz[2] B 5ZJ
6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazin.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7rn1[2] D 5ZF
N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7rn4[2] B H69
6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyr.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

7rnh[2] B 5ZW
6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimid.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

7rnk[2] B 5ZT
6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

7s3k[2] B Z26
2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)a.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7s3k[2] B Z26
2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)a.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7s3s[2] B 860
2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide[2.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7s3s[2] B 860
2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide[2.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7s4b[2] B 87H
(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propan.. A 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase

7s4b[2] B 87H
(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propan.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7set[2] B I70
(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7sf1[2] B 8ZI
(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7sf3[2] B 90H
(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

7sfh[2] B 91I
(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7sfi[2] B 91Z
(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7sgh[3] F 99W
(S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)pro.. B 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7tdu[2] B I1W
(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-.. A 100.0
/100.0 24
/24 R1AB_SARS2 3C-like proteinase

7tdu[2] B I1W
(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7teh[2] B I1Z
(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-v.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase

7tfr[2] B NB2
(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrroli.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7tuu[2] B U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/100.0 5
/5 R1A_SARS2 3C-like proteinase nsp5

7tuu[2] C U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase nsp5

7tuu[2] D U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 3C-like proteinase nsp5

7tuu[2] D U88
5-nitro-1,3-thiazole[8 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase nsp5

7u92[2] B M0C
(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-.. A 100.0
/100.0 23
/23 R1AB_SARS2 3C-like proteinase

7ur9[2] C O5F
(2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxo.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase nsp5

7urb[2] B O5O
(2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarb.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

7v1t[1] B 5IL
5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl).. A 100.0
/100.0 15
/15 R1A_SARS2 3C-like proteinase

7wo1[2] B 3XI
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene.. A 100.0
/100.0 19
/19 R1A_SARS2 3C-like proteinase

7wo1[2] B 3XI
N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene.. A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7wym[2] B G7L
N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl].. A 100.0
/100.0 11
/11 R1A_SARS2 3C-like proteinase nsp5

7wyp[1] D G7O
N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop.. B 100.0
/100.0 9
/9 R1A_SARS2 3C-like proteinase

7xar[2] H BOV
4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoy.. A 100.0
/100.0 16
/16 R1A_SARS2 3C-like proteinase

7z59[2] B IFO
(3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methy.. A 100.0
/100.0 15
/15 R1AB_SARS2 3C-like proteinase nsp5

7z59[2] B IFO
(3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methy.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7zqv[2] C XNV
ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase nsp5

7zqv[2] D XNV
ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8a4q[2] B V9R
~{tert}-butyl ~{N}-[1-[(2~{R})-3-cyclopropyl-1-oxi.. A 100.0
/100.0 12
/12 R1AB_SARS2 3C-like proteinase nsp5

8a4q[2] B V9R
~{tert}-butyl ~{N}-[1-[(2~{R})-3-cyclopropyl-1-oxi.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8a4t[1] C O6K
~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxi.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8aiq[2] C MXU
~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4.. A 100.0
/100.0 18
/18 R1AB_SARS2 Replicase polyprotein 1ab

8aiq[1] E MXU
~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4.. A 100.0
/100.0 1
/1 R1AB_SARS2 Replicase polyprotein 1ab

8aiu[2] C M9X
tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-.. A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase nsp5

8aiu[1] E M9X
tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8aiv[2] C MFL
tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8aiv[2] E MFL
tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8aiz[1] B MIJ
(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxida.. A 100.0
/100.0 18
/18 R1AB_SARS2 Replicase polyprotein 1ab

8b2t[4] B OW1
Nirmatrelvir (reacted form)[35 atoms] A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase nsp5

8b56[1] D OZI
(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophe.. B 100.0
/100.0 14
/14 R1AB_SARS2 3C-like proteinase nsp5

8cyu[4] E P5X
N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylam.. A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

8cyz[4] E P6I
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase

8cyz[3] G P6I
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

8cz4[4] E P6R
N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)m.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

8cz4[3] G P6R
N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)m.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

8cz7[4] E P7L
N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4.. A 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase

8d4p[2] B QAO
2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino.. A 100.0
/100.0 19
/19 R1AB_SARS2 3C-like proteinase

8dlb[2] B SRU
1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihyd.. A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

8dmd[2] B SVL
1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylprop.. A 100.0
/100.0 10
/10 R1AB_SARS2 3C-like proteinase

8dsu[1] H V2M
N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyr.. B 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8fy7[1] D YFK
4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-.. B 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8i30[2] B OF9
(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4.. A 100.0
/100.0 16
/16 R1A_SARS2 3C-like proteinase nsp5

8okk[1] O 83F
tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-.. B 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8okl[1] I 83N
tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1.. B 100.0
/100.0 17
/17 R1AB_SARS2 3C-like proteinase nsp5

8okm[1] J 84C
tert-butyl-N-[(2S)-1-[(3S,3aS,6aR)-3-[[(2S)-1-oxid.. B 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8okn[1] H 83W
tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy].. B 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8sk4[2] B I3R
2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase nsp5

8skh[2] B A1W
2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8sty[2] B WGE
benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrol.. A 100.0
/100.0 16
/16 R1AB_SARS2 3C-like proteinase nsp5

8sxr[1] D WZK
N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylam.. B 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

8tbe[2] C ZQB
Pomotrelvir bound form[32 atoms] A 100.0
/100.0 20
/20 R1AB_SARS2 3C-like proteinase nsp5

8tbe[2] D ZQB
Pomotrelvir bound form[32 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7aol[2] D RQH
(1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3.. A 100.0
/99.7 5
/5 R1AB_SARS2 3C-like proteinase

7b83[2] B PK8
9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]n.. A 100.0
/99.7 6
/6 R1AB_SARS2 3C-like proteinase

7rfs[20] B 4WI
(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrroli.. A 100.0
/100.0 21
/21 R1AB_SARS2 3C-like proteinase

8dz6[1] C 4WI
(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrroli.. B 100.0
/99.7 1
/1 R1AB_SARS2 3C-like proteinase nsp5

7rvm[2] B 7V2
N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-.. A 100.0
/99.7 18
/18 R1AB_SARS2 3C-like proteinase

7rvo[2] C 7VI
N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7rvp[2] C 7VQ
N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2.. A 100.0
/99.7 20
/20 R1AB_SARS2 3C-like proteinase

7rvr[2] B 7W5
N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1.. A 100.0
/99.7 21
/21 R1AB_SARS2 3C-like proteinase

7rvw[2] B 7YB
benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3.. A 100.0
/99.7 18
/18 R1AB_SARS2 3C-like proteinase

7rvy[2] B 7YQ
O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}.. A 100.0
/99.7 21
/21 R1AB_SARS2 3C-like proteinase

7rw0[2] B 7YZ
N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cy.. A 100.0
/99.7 20
/20 R1AB_SARS2 3C-like proteinase

7s6y[2] B 8GW
(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-v.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7s6z[2] B I71
(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-v.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7s71[2] B 8H9
(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-v.. A 100.0
/99.7 18
/18 R1AB_SARS2 3C-like proteinase

7s73[2] B I69
(6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-di.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

7s75[2] B 8I7
(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolid.. A 100.0
/99.7 18
/18 R1AB_SARS2 3C-like proteinase

7sd9[2] B 8T6
N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin.. A 100.0
/99.7 14
/14 R1AB_SARS2 3C-like proteinase

7sda[2] B 8UI
N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin.. A 100.0
/99.7 17
/17 R1AB_SARS2 3C-like proteinase

7sdc[2] B I80
(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolid.. A 100.0
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

8dz0[2] E 7YY
6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1.. B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8dz0[2] G 7YY
6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1.. B 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase nsp5

6wtj[14] B K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino.. A 100.0
/100.0 13
/13 R1AB_SARS2 3C-like proteinase

6wtj[8] B K36
(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino.. A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

METAL

306 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

6xbh[4] D NA
SODIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

6xbi[3] G NA
SODIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

6z2e[2] E NA
SODIUM ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7be7[12] S NA
SODIUM ION[1 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7cb7[3] C NA
SODIUM ION[1 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7jyc[4] G NA
SODIUM ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7ntq[4] C NA
SODIUM ION[1 atoms] A 100.0
/100.0 5
/5 R1A_SARS2 3C-like proteinase

7ntq[6] D NA
SODIUM ION[1 atoms] A 100.0
/100.0 5
/5 R1A_SARS2 3C-like proteinase

7ntq[2] E NA
SODIUM ION[1 atoms] A 100.0
/100.0 7
/7 R1A_SARS2 3C-like proteinase

7ntt[3] C NA
SODIUM ION[1 atoms] A 100.0
/100.0 6
/6 R1A_SARS2 3C-like proteinase

7ntt[3] C NA
SODIUM ION[1 atoms] B 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7ntw[4] B NA
SODIUM ION[1 atoms] A 100.0
/100.0 6
/6 R1A_SARS2 3C-like proteinase

7pfl[4] B NA
SODIUM ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 Replicase polyprotein 1ab

7phz[1] M NA
SODIUM ION[1 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 Replicase polyprotein 1ab

6xkf[19] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

6yvf[2] C CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

6yvf[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6yvf[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

6z2e[100] C CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

6z2e[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7af0[4] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7aga[5] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7avd[4] C CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

7bb2[5] L CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7be7[3] T CL
CHLORIDE ION[1 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7nf5[2] K CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7q5e[1] E CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7tgr[2] F CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7xar[1] F CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7xar[1] G CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 3C-like proteinase

8i30[2] C CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 3C-like proteinase nsp5

8i30[2] D CL
CHLORIDE ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase nsp5

6yvf[2] L CA
CALCIUM ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7sfh[4] C CA
CALCIUM ION[1 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7bak[2] B SE
SELENIUM ATOM[1 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 Main Protease

7k3t[30] M ZN
ZINC ION[1 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7tgr[2] G K
POTASSIUM ION[1 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7xar[1] C NI
NICKEL (II) ION[1 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 3C-like proteinase

7xar[2] D NI
NICKEL (II) ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7xar[2] E NI
NICKEL (II) ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7xar[2] J NI
NICKEL (II) ION[1 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

8b56[1] G BR
BROMIDE ION[1 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8okm[1] H BR
BROMIDE ION[1 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase nsp5

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

HOMO

306 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

5r7z[752] A R1AB_SARS2 3C-like proteinase[304 aa] A 100.0
/100.0 37
/37 R1AB_SARS2 3C-like proteinase

7e5x[1] C R1AB_SARS2 3C-like proteinase[306 aa] A 100.0
/100.0 18
/18 R1AB_SARS2 3C-like proteinase

7e5x[1] C R1AB_SARS2 3C-like proteinase[306 aa] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7e5x[1] A R1AB_SARS2 3C-like proteinase[306 aa] C 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

7e5x[1] B R1AB_SARS2 3C-like proteinase[306 aa] C 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7rm2[8] A R1AB_SARS2 3C-like proteinase[306 aa] A 100.0
/100.0 11
/11 R1AB_SARS2 3C-like proteinase

7s82[4] B R1AB_SARS2 3C-like proteinase[11 aa] A 94.7
/99.7 19
/19 R1AB_SARS2 3C-like proteinase

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

PRECIPITANT

306 pdb_id contact mol homologue

a³ description a⁴ identity[%]⁵ Ncon⁶ description

5r7z[259] B DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

5r7z[258] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5r7z[235] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

5r7z[207] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

5r7z[92] F DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 9
/9 R1AB_SARS2 3C-like proteinase

5r82[6] F DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

5rec[40] F DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

5ret[17] F DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

5rex[12] F DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

6yb7[57] G DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

6yb7[24] I DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7a1u[8] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7abu[4] I DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7aga[2] K DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7amj[4] I DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7ax6[2] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7ax6[2] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7axm[5] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7b5z[5] G DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase nsp5

7b5z[2] H DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase nsp5

7buy[4] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7buy[2] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7cuu[1] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C protein

7mhl[2] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mhl[3] D DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7mhl[2] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7mhm[2] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7mhm[2] E DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7t70[1] DA DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/99.7 2
/2 R1AB_SARS2 3C-like proteinase

7t70[1] S DMS
DIMETHYL SULFOXIDE[4 atoms] B 100.0
/99.7 2
/2 R1AB_SARS2 3C-like proteinase

7vh8[4] C DMS
DIMETHYL SULFOXIDE[4 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase

6xa4[10] C GOL
GLYCEROL[6 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

6xbi[1] E GOL
GLYCEROL[6 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

6xbi[1] F GOL
GLYCEROL[6 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7cuu[1] H GOL
GLYCEROL[6 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C protein

7cuu[4] F GOL
GLYCEROL[6 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C protein

7cuu[1] G GOL
GLYCEROL[6 atoms] B 100.0
/100.0 6
/6 R1AB_SARS2 3C protein

7cuu[1] H GOL
GLYCEROL[6 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C protein

7dpu[2] E GOL
GLYCEROL[6 atoms] B 100.0
/100.0 4
/4 R1A_SARS2 3C-like proteinase

7rn1[3] E GOL
GLYCEROL[6 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7rn1[3] E GOL
GLYCEROL[6 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7t70[3] BA GOL
GLYCEROL[6 atoms] B 100.0
/99.7 7
/7 R1AB_SARS2 3C-like proteinase

7t70[2] FA GOL
GLYCEROL[6 atoms] B 100.0
/99.7 3
/3 R1AB_SARS2 3C-like proteinase

7t70[1] JA GOL
GLYCEROL[6 atoms] B 100.0
/99.7 4
/4 R1AB_SARS2 3C-like proteinase

7t70[2] X GOL
GLYCEROL[6 atoms] B 100.0
/99.7 6
/6 R1AB_SARS2 3C-like proteinase

7t8m[1] F GOL
GLYCEROL[6 atoms] A 100.0
/99.7 4
/4 R1AB_SARS2 3C-like proteinase

7t8m[1] G GOL
GLYCEROL[6 atoms] A 100.0
/99.7 4
/4 R1AB_SARS2 3C-like proteinase

7tc4[1] E GOL
GLYCEROL[6 atoms] A 100.0
/99.7 3
/3 R1AB_SARS2 3C-like proteinase

8dsu[1] C GOL
GLYCEROL[6 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8dsu[1] F GOL
GLYCEROL[6 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

6xkf[2] C EDO
1,2-ETHANEDIOL[4 atoms] A 80.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

6xkf[17] E EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

6xkh[2] B EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

6xkh[4] C EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7bb2[8] C EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 6
/6 R1AB_SARS2 3C-like proteinase

7bb2[1] G EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7bb2[2] H EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7bb2[1] J EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7bb2[8] K EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7be7[1] F EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7be7[1] M EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7be7[3] P EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7be7[2] Q EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7be7[2] R EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7jfq[2] B EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7nf5[2] C EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7nf5[2] D EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7nf5[2] E EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7nf5[4] H EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7phz[1] H EDO
1,2-ETHANEDIOL[4 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 Replicase polyprotein 1ab

7q5f[1] E EDO
1,2-ETHANEDIOL[4 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

6xkh[2] D FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

6xkh[2] E FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

6xkh[4] F FMT
FORMIC ACID[3 atoms] A 85.7
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

6xkh[2] G FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7jfq[2] C FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

7jfq[2] E FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7ntq[6] F FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 3C-like proteinase

7ntq[4] G FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase

7ntq[2] H FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7ntq[2] I FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 3C-like proteinase

7ntq[2] J FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase

7ntq[3] K FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 2
/2 R1A_SARS2 3C-like proteinase

7ntq[2] L FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase

7ntw[2] G FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 4
/4 R1A_SARS2 3C-like proteinase

7ntw[2] I FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

7ntw[2] J FMT
FORMIC ACID[3 atoms] A 100.0
/100.0 1
/1 R1A_SARS2 3C-like proteinase

8okk[1] I FMT
FORMIC ACID[3 atoms] B 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase nsp5

8okk[1] U FMT
FORMIC ACID[3 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8okl[1] F FMT
FORMIC ACID[3 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase nsp5

6xkh[3] H ACT
ACETATE ION[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

8okk[1] P ACT
ACETATE ION[4 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase nsp5

8okk[1] Q ACT
ACETATE ION[4 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

6yb7[2] H PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

6yvf[2] I PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

6yvf[4] J PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

6yvf[2] K PEG
DI(HYDROXYETHYL)ETHER[6 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7ay7[5] H PEG
DI(HYDROXYETHYL)ETHER[7 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7b2j[4] C PEG
DI(HYDROXYETHYL)ETHER[5 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase nsp5

7a1u[4] H IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7a1u[6] I IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7abu[4] C IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7aqi[2] E IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7aqi[2] E IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7ax6[2] E IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 7
/7 R1AB_SARS2 3C-like proteinase

7axm[4] G IMD
IMIDAZOLE[5 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7b83[2] C IMD
IMIDAZOLE[5 atoms] A 100.0
/99.7 3
/3 R1AB_SARS2 3C-like proteinase

7d3i[2] C TRS
2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL[8 atoms] A 100.0
/100.0 3
/3 R1A_SARS2 3C-like proteinase

7e6k[2] G SO4
SULFATE ION[5 atoms] A 100.0
/100.0 8
/8 R1AB_SARS2 3C-like proteinase

7e6k[14] H SO4
SULFATE ION[5 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7mat[1] D SO4
SULFATE ION[5 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7mau[1] D SO4
SULFATE ION[5 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7mpb[1] F ETF
TRIFLUOROETHANOL[6 atoms] B 100.0
/100.0 5
/5 R1AB_SARS2 3C-like proteinase

7nf5[2] F IPA
ISOPROPYL ALCOHOL[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7nf5[2] F IPA
ISOPROPYL ALCOHOL[4 atoms] A 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase

7nf5[4] G IPA
ISOPROPYL ALCOHOL[4 atoms] A 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase

7nf5[2] I IPA
ISOPROPYL ALCOHOL[4 atoms] A 100.0
/100.0 1
/1 R1AB_SARS2 3C-like proteinase

7q5f[1] I NO3
NITRATE ION[4 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7q5f[1] K NO3
NITRATE ION[4 atoms] B 100.0
/100.0 3
/3 R1AB_SARS2 3C-like proteinase

7z2k[1] H MLI
MALONATE ION[7 atoms] B 100.0
/100.0 2
/2 R1AB_SARS2 3C-like proteinase nsp5

8okk[4] S MPD
(4S)-2-METHYL-2,4-PENTANEDIOL[8 atoms] B 100.0
/100.0 4
/4 R1AB_SARS2 3C-like proteinase nsp5

3.a³:asym_id for the contact molecule. 4.a⁴:asym_id for the template homologue. 5.identity[%]⁵:sequence identity between the query and the template homologue only for the contact residues. Number after the slash / is sequence identity for all the aligned region. 6.Ncon⁶:number of aligned contact residues for the query. Number after the slash / is number of contact residues in the template homologue.

MONOMER
306
	pdb_id	a¹	identity[%]²	description
	6xbi	A	100.0	R1AB_SARS2 3C-like proteinase
	1.a¹:asym_id for the homologue. 2.identity[%]²:sequence identity between the query and the homologue.

Contact Molecules for Homologous Proteins

Summary Bars[0.0 %]

UniProt Feature Tables [YP_009725301.1()]