#WARNING:no index is registered index "YP_009725299.1" in "https://rest.uniprot.org/uniprotkb/" url "https://rest.uniprot.org/uniprotkb/YP_009725299.1.txt".
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Contact Molecules for Homologous Proteins


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Summary Bars[100 %]


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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
22554 1945 1008 YP_009725299.1()
QUERYSEQ
APTKVTFGDDTVIEVQGYKSVNITFELDERIDKVLNEKCSAYTVELGTEVNEFACVVADAVIKTLQPVSELLTPLGIDLDEWSMATYYLFDESGEFKLASHMYCSFYPPDEDEEEGDCEEEEFEPSTQYEYGTEDDYQGKPLEFGATSAA
LQPEEEQEEDWLDDDSQQTVGQQDGSEDNQTTTIQTIVEVQPQLEMELTPVVQTIEVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVV
GPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFLEMKSEKQVEQKIAEIPKEEVKPFITESKPSVEQRKQDDKKIKACVEEVTTTLEETKFLTENLLLYIDINGNLHPDSA
TLVSDIDITFLKKDAPYIVGDVVQEGVLTAVVIPTKKAGGTTEMLAKALRKVPTDNYITTYPGQGLNGYTVEEAKTVLKKCKSAFYILPSIISNEKQEILGTVSWNLREMLAHAEETRKLMPVCVETKAIVSTIQRKYKGIKIQEGVVDY
GARFYFYTSKTTVASLINTLNDLNETLVTMPLGYVTHGLNLEEAARYMRSLKVPATVSVSSPDAVTAYNGYLTSSSKTPEEHFIETISLAGSYKDWSYSGQSTQLGIEFLKRGDKSVYYTSNPTTFHLDGEVITFDNLKTLLSLREVRTI
KVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSHEGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNGLTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCALILAYC
NKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLKGVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQYELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPITDVFY
KENSYTTTIKPVTYKLDGVVCTEIDPKLDNYYKKDNSYFTEQPIDLVPNQPYPNASFDNFKFVCDNIKFADDLNQLTGYKKPASRELKVTFFPDLNGDVVAIDYKHYTPSFKKGAKLLHKPIVWHVNNATNKATYKPNTWCIRCLWSTKP
VETSNSFDVLKSEDAQGMDNLACEDLKPVSEEVVENPTIQKDVLECNVKTTEVVGDIILKPANNSLKITEEVGHTDLMAAYVDNSSLTIKKPNELSRVLGLKTLATHGLAAVNSVPWDTIANYAKPFLNKVVSTTTNIVTRCLNRVCTNY
MPYFFTLLLQLCTFTRSTNSRIKASMPTTIAKNTVKSVGKFCLEASFNYLKSPNFSKLINIIIWFLLLSVCLGSLIYSTAALGVLMSNLGMPSYCTGYREGYLNSTNVTIATYCTGSIPCSVCLSGLDSLDTYPSLETIQITISSFKWDL
TAFGLVAEWFLAYILFTRFFYVLGLAAIMQLFFSYFAVHFISNSWLMWLIINLVQMAPISAMVRMYIFFASFYYVWKSYVHVVDGCNSSTCMMCYKRNRATRVECTTIVNGVRRSFYVYANGGKGFCKLHNWNCVNCDTFCAGSTFISDE
VARDLSLQFKRPINPTDQSSYIVDSVTVKNGSIHLYFDKAGQKTYERHSLSHFVNLDNLRANNTKGSLPINVIVFDGKSKCEESSAKSASVYYSQLMCQPILLLDQALVSDVGDSAEVAVKMFDAYVNTFSSTFNVPMEKLKTLVATAEA
ELAKNVSLDNVLSTFISAARQGFVDSDVETKDVVECLKLSHQSDIEVTGDSCNNYMLTYNKVENMTPRDLGACIDCSARHINAQVAKSHNIALIWNVKDFMSLSEQLRKQIRSAAKKNNLPFKLTCATTRQVVNVVTTKIALKGG
[BLAST file for PDB] (plain) (bar) (multiple alignment) [BLAST for UniProt: (plain) (bar) (multiple alignment) (PSSM file) ]

UniProt Feature Tables [YP_009725299.1()]

1945
region name description
1-1945 DISORDER predicted by DISOPRED

MONOMER
1945
pdb_id a1 identity[%]2 description
7llf A 100.0 R1A_SARS2 Non-structural protein 3
8f2e A 100.0 R1AB_SARS2 Papain-like protease nsp3
6z72 A 100.0 R1AB_SARS2 Replicase polyprotein 1ab
7thh E 100.0 R1AB_SARS2 Papain-like protease nsp3
7lgo A 100.0 R1AB_SARS2 Non-structural protein 3
7wzo B 100.0 R1A_SARS2 nsp3
7t9w B 100.0 R1AB_SARS2 Papain-like protease nsp3
1.a1:asym_id for the homologue. 2.identity[%]2:sequence identity between the query and the homologue.
HETERO
1945 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
6xa9[3] B ISG15_HUMAN ISG15 CTD-propargylamide[80 aa] A 100.0
/100.0
22
/22
R1AB_SARS2 Non-structural protein 3
6xaa[1] B J3QS39_HUMAN Ubiquitin-propargylamide[76 aa] A 100.0
/100.0
25
/25
R1AB_SARS2 Non-structural protein 3
7pku[1] B A0A6G9KDV1_SARS2 Nucleoprotein[73 aa] A 100.0
/100.0
17
/17
A0A6M4N019_SARS2 3C-like proteinase
7wzo[2] A NCAP_SARS2 Nucleoprotein[125 aa] B 100.0
/100.0
10
/10
R1A_SARS2 nsp3
8cx9[8] G RL40_HUMAN Ubiquitin variant UbV.CV2.1[75 aa] A 100.0
/100.0
12
/12
R1A_SARS2 Papain-like protease nsp3
8iho[2] C covalent inhibitor[4 aa] A 100.0
/100.0
18
/18
R1A_SARS2 Papain-like protease nsp3
8iho[1] D covalent inhibitor[4 aa] A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease nsp3
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
1945 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
5rs7[1] C W4Y
1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,..
A 100.0
/100.0
11
/11
R1AB_SARS2 Non-structural protein 3
5rs8[1] C H35
N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE[16 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rs9[1] C W4V
6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rsb[1] C W4S
7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine[11 ato..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rsc[1] C W5S
7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rsd[1] C 1LQ
quinazolin-4-amine[11 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rse[1] C W5P
4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]p..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rsf[1] C W5M
9-methyl-9H-purine-2,6-diamine[12 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rsg[1] C W5J
N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-al..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rsh[1] C W5G
4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyr..
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5rsi[1] C W5D
4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine[..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rsj[1] C W5A
3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-a..
A 100.0
/100.0
12
/12
R1AB_SARS2 Non-structural protein 3
5rsk[1] C W57
3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-a..
A 100.0
/100.0
11
/11
R1AB_SARS2 Non-structural protein 3
5rsl[1] C W51
6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloro..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rsm[1] C 4SO
4-sulfamoylbenzoic acid[13 atoms]
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
5rsn[1] C 51X
(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic aci..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rso[1] C TYZ
PARA ACETAMIDO BENZOIC ACID[13 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rsp[1] C LSA
1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE[12 atoms]..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rsq[1] C MOK
5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid[15..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rsr[1] C XIY
2-HYDROXYMETHYL-BENZOIMIDAZOLE[11 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rss[1] C NC3
N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE[14 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rst[1] C 5HN
5-hydroxypyridine-3-carboxylic acid[10 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rsu[1] C OHB
salicylamide[10 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rsv[1] C 4MB
4-[(METHYLSULFONYL)AMINO]BENZOIC ACID[14 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rsw[1] C 6FZ
2,3-dihydro-1H-indene-2-carboxylic acid[12 atoms]
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
5rsx[1] C YTX
2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid[13 at..
A 100.0
/100.0
12
/12
R1AB_SARS2 Non-structural protein 3
5rsy[1] C 3R6
2-hydroxy-5-(methylsulfanyl)benzoic acid[12 atoms]..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rsz[1] C ZZA
1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID[14 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rt0[1] C 4BL
6-methyl-1H-indole-2-carboxylic acid[13 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
5rvt[1] B 4BL
6-methyl-1H-indole-2-carboxylic acid[13 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rt1[1] C 3A9
2,3-dihydro-1-benzofuran-5-carboxylic acid[12 atom..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rt2[1] C 5OF
2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic ..
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
5rt3[1] C 2FX
1-benzothiophen-2-ylacetic acid[13 atoms]
A 100.0
/100.0
12
/12
R1AB_SARS2 Non-structural protein 3
5rt4[1] C 4BX
3-(1H-benzimidazol-2-yl)propanoic acid[14 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rt5[1] C 07L
7-hydroxy-2H-chromen-2-one[12 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rt6[1] C 05R
2-(3,4-dichlorophenyl)ethanoic acid[12 atoms]
A 100.0
/100.0
12
/12
R1AB_SARS2 Non-structural protein 3
5rt7[1] C GVH
1H-PYRROLO[2,3-B]PYRIDINE[9 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rt8[1] C HLR
1,2-benzoxazol-3-amine[10 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rt9[1] C 54G
2-hydroxy-5-methylbenzoic acid[11 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rta[1] C Q6T
1,3-benzodioxole-4-carboxylic acid[12 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rtb[1] C 3XH
3-Hydroxyhippuric acid[14 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rtc[1] C EVE
1H-benzimidazole-2-sulfonamide[13 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rtd[1] C MHW
3-HYDROXYPICOLINIC ACID[10 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rte[1] C 4FL
4-(1H-imidazol-2-yl)pyridine[11 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rtf[1] C ISN
ISATIN[11 atoms]
B 100.0
/100.0
2
/3
R1AB_SARS2 Non-structural protein 3
5rtg[1] C 3HP
3-HYDROXYPHENYLACETATE[11 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rth[1] C 3BZ
3-chlorobenzoate[10 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rti[1] C 6U6
3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic aci..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rtj[1] C PHB
P-HYDROXYBENZOIC ACID[10 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5rtk[1] C BZX
1,3-benzodioxol-5-ol[10 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5rtl[1] C 4J8
4-methylbenzenesulfonamide[11 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rtm[1] C PZA
PYRAZINE-2-CARBOXAMIDE[9 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rtn[1] C AQO
2-AMINOQUINAZOLIN-4(3H)-ONE[12 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rvo[1] B AQO
2-AMINOQUINAZOLIN-4(3H)-ONE[12 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rto[1] C 4PN
4-PIPERIDINO-PIPERIDINE[12 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5rtp[1] C AOT
2-oxidanylidene-2-phenylazanyl-ethanoic acid[12 at..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rtq[1] C 4JO
5-bromo-6-methylpyridin-2-amine[9 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rtr[1] C SHA
SALICYLHYDROXAMIC ACID[11 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rts[1] C 0LO
5-phenylpyridine-3-carboxylic acid[15 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rvs[1] B 0LO
5-phenylpyridine-3-carboxylic acid[15 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rtt[1] C NMI
3-(1-methyl-1H-indol-3-yl)propanoic acid[15 atoms]..
A 100.0
/100.0
12
/12
R1AB_SARS2 Non-structural protein 3
5rtu[1] C 1FF
1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid[15..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rtv[1] C PF0
3-hydroxy-2-methylbenzoic acid[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rtw[1] C OHP
(2-HYDROXYPHENYL)ACETIC ACID[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rtx[1] C 6OT
3,5-dichlorobenzene-1-sulfonamide[12 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rty[1] C HBD
4-HYDROXYBENZAMIDE[10 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rvm[1] B HBD
4-HYDROXYBENZAMIDE[10 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rtz[1] C FHB
3-FLUORO-4-HYDROXYBENZOIC ACID[11 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5ru0[1] C 2CL
(2,6-DICHLOROPHENYL)ACETIC ACID[12 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5ru0[1] D 2CL
(2,6-DICHLOROPHENYL)ACETIC ACID[12 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5ru1[1] C DFA
DIPHENYLACETIC ACID[16 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5ru2[1] C 06Y
2-phenoxyethanoic acid[11 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5ru3[1] C 8H8
2-fluoro-4-hydroxybenzonitrile[10 atoms]
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5ru4[1] C 6V9
2-methyl-1,3-thiazole-5-carboxylic acid[9 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5ru5[1] C BXW
3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxyli..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5ru6[1] C 2UP
naphthalene-2-carboximidamide[13 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5ru7[1] C PYD
2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE[9 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5ru8[1] C 1SQ
ISOQUINOLIN-1-AMINE[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rvp[1] B 1SQ
ISOQUINOLIN-1-AMINE[11 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5ru9[1] C 4SV
3-AMINOPYRIDINE-4-CARBOXYLIC ACID[10 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rua[1] C 3EU
(3,5-dichlorophenyl)acetic acid[12 atoms]
A 100.0
/100.0
11
/11
R1AB_SARS2 Non-structural protein 3
5ruc[1] C NCA
NICOTINAMIDE[9 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rud[1] C 2D0
4-chloro-1,3-benzothiazol-2-amine[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rue[1] C BHA
2-HYDROXY-4-AMINOBENZOIC ACID[11 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5ruf[1] C 54T
6-chloro-1,3-benzothiazol-2-amine[11 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rug[1] C NOA
NAPHTHYLOXYACETIC ACID[15 atoms]
A 100.0
/100.0
11
/11
R1AB_SARS2 Non-structural protein 3
5ruh[1] C KNL
(2,6-dichlorophenoxy)acetic acid[13 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rui[1] C 4YS
isoquinolin-1(2H)-one[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5ruj[1] C 2SX
(5-bromo-1H-indol-3-yl)acetic acid[14 atoms]
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
5ruk[1] C NVU
2-(1,2-benzoxazol-3-yl)ethanoic acid[13 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rul[1] C 5ZE
4,6-dimethylpyrimidin-2-amine[9 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rum[1] C 52F
3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5run[1] C EXB
3-(1H-benzimidazol-1-yl)propanoic acid[14 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5ruo[1] C W6A
4-chloro-1H-indole-2-carboxylic acid[13 atoms]
A 100.0
/100.0
11
/11
R1AB_SARS2 Non-structural protein 3
5rup[1] C 04R
[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol..
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5ruq[1] C W6D
1H-indole-4-carboxamide[12 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5rur[1] C FBB
6-fluoro-1,3-benzothiazol-2-amine[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rus[1] C HSM
HISTAMINE[8 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rut[1] C APG
ATROLACTIC ACID (2-PHENYL-LACTIC ACID)[12 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5ruu[1] C W6G
N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide[15 ato..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5ruv[1] C W6J
1-(pyridin-2-yl)-1,4-diazepane[13 atoms]
B 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5ruw[1] C W6M
3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoy..
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5rux[1] C W6P
1,3-dihydro-2H-indol-2-one[10 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5ruy[1] C XAN
XANTHINE[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5ruz[1] C W6S
4-(1H-pyrazol-3-yl)piperidine[11 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 Non-structural protein 3
5rv0[1] C W6V
N-(1,3-thiazol-2-yl)benzamide[14 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rv1[1] C TFA
trifluoroacetic acid[7 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rv2[1] C W7S
N-benzylpyrazine-2-carboxamide[16 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5rv3[1] C MYI
(5-methoxy-1H-indol-3-yl)acetic acid[15 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rv4[1] C 4FS
quinolin-3-amine[11 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rv5[1] C JG8
BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE[14 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rv6[1] C 0HN
1,3-benzodioxole-5-carboxylic acid[12 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5rv7[1] C JNZ
1H-indazol-3-amine[10 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rv8[1] C 8EJ
6-methylpyridine-3-carboxamide[10 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rv9[2] C EKZ
4-tert-butylbenzene-1,2-diol[12 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rva[1] C HQD
3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE[13 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rvb[1] C 7PD
2-aminopteridine-4,7(3H,8H)-dione[13 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5rvc[1] C W7V
(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]..
A 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
5rvd[1] C W7Y
4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,..
A 100.0
/100.0
12
/12
R1AB_SARS2 Non-structural protein 3
5rve[1] C W8A
{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5rvf[1] C W8D
3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine[16 a..
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
5rvg[1] C W8J
3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine[18..
A 100.0
/100.0
12
/12
R1AB_SARS2 Non-structural protein 3
5rvg[1] D W8J
3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine[18..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rvh[1] C Q3C
quinoline-3-carboxylic acid[13 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rvi[1] C CLW
CHLORZOXAZONE[11 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5rvi[1] D CLW
CHLORZOXAZONE[11 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rvj[1] B 4JQ
6-amino-2H-chromen-2-one[12 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rvk[1] B 2AK
7-bromo-5-methyl-1H-indole-2,3-dione[13 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rvl[1] B BVF
4-METHYLPYRIDIN-2-AMINE[8 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5rvn[1] B ANN
4-METHOXYBENZOIC ACID[11 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5rvq[1] B 4BY
5-methyl-1H-indole-2-carboxylic acid[13 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5rvr[1] B LZ1
1H-indazole[9 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5rvu[1] B 6P3
6-phenylpyridine-3-carboxylic acid[15 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5rvv[1] B WB1
6-methyl-1H-indole-3-carboxylic acid[13 atoms]
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5s18[1] C WOY
6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine[9 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s1a[1] C WPS
5-amino-3-methyl-1H-pyrazole-4-carbonitrile[9 atom..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s1a[1] D WPS
5-amino-3-methyl-1H-pyrazole-4-carbonitrile[9 atom..
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s1c[1] C WPV
1-(5-bromopyridin-3-yl)methanamine[9 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5s1e[1] C WPY
N-(1,3-thiazol-2-yl)acetamide[9 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s1g[1] C WQ1
(4-methylpyridin-3-yl)methanol[9 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s1i[1] C WQ4
5-amino-2-methyl-1,3-oxazole-4-carbonitrile[9 atom..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s1k[1] C WQ7
1-(2-aminoethyl)pyridin-2(1H)-one[10 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s1m[1] C DE5
2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide[10 atom..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s1o[1] C WQA
2H-pyrazolo[3,4-b]pyridin-5-amine[10 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s1q[1] C WQG
quinazolin-4(3H)-one[11 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s1s[1] C WQJ
7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine[11 ato..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s1u[1] C WQM
(3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxam..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5s1w[1] C WQV
N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s1y[1] C WQY
1-(quinolin-3-yl)methanamine[12 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s20[1] C WRD
(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol[12 ..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s22[1] C WRJ
2H-1-benzopyran-3-carboxamide[13 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s24[1] C WRM
2-(1H-benzimidazol-1-yl)-N-methylacetamide[14 atom..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s26[1] C L46
4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxa..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s27[1] C WSM
4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one[15 a..
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s28[1] C WRV
N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxyprop..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s29[1] C WRY
7-fluoro-N,2-dimethylquinoline-3-carboxamide[16 at..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s2a[1] C WS4
N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxa..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s2b[1] C WSG
N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide[17 a..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s2c[1] C WSJ
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyra..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s2d[1] C U0P
N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-..
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s2e[1] C VZM
N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea[17 ..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s2f[1] C K0G
N-phenyl-N'-pyridin-3-ylurea[16 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5s2f[1] D K0G
N-phenyl-N'-pyridin-3-ylurea[16 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s2g[1] C JHJ
N-(4-methoxyphenyl)-N'-pyridin-4-ylurea[18 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s2h[1] C VWV
ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)aceta..
B 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s2i[1] C LUY
~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine[18..
B 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s2j[1] C JGG
N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide[..
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s2k[1] C VZP
N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methy..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s2l[1] C VZS
N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s2l[1] D VZS
N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4..
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s2m[1] C VZY
N-(3-methylbenzene-1-carbonyl)glycine[14 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s2n[1] C GWY
5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s2o[1] C NXS
[1-(pyrimidin-2-yl)piperidin-4-yl]methanol[14 atom..
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5s2p[1] C W04
N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide[13..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s2q[1] C W0A
N-[(1H-benzimidazol-2-yl)methyl]butanamide[16 atom..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s2r[1] C K41
2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide[..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s2s[1] C GWV
~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]ani..
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5s2t[1] C W0D
N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamid..
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5s2u[1] C VXD
N-(3-chloro-2-methylphenyl)glycinamide[13 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s2v[1] C W0G
(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-..
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s2w[1] C GWP
2-cyclopropyl-1~{H}-imidazole-4-carboxamide[11 ato..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s2x[1] C W0J
(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine[..
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s2y[1] C W0M
(2R)-2-(4-chlorophenoxy)propanamide[13 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s2z[1] C T6J
2-[(methylsulfonyl)methyl]-1H-benzimidazole[14 ato..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s30[1] C W0P
(2R)-2-(2-fluorophenoxy)propanoic acid[13 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s31[1] C W0S
1-(3,4,5-trimethoxyphenyl)methanamine[14 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s32[1] C W0V
N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanami..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s33[1] C K2G
5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide[1..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s34[1] C GOV
(2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}pro..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5s35[1] C B1A
~{N}-(4-phenylazanylphenyl)ethanamide[17 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s36[1] C 7ZC
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanami..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s36[1] D 7ZC
1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanami..
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s37[1] C NZ1
5-methoxy-1,3-benzothiazol-2-amine[12 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5s38[1] C S7J
2-(trifluoromethyl)pyrimidine-5-carboxamide[13 ato..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s39[1] C W0Y
N-methyl-4-sulfamoylbenzamide[14 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s3a[1] C W17
1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide[11 at..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s3b[1] C W1A
N-[(piperidin-4-yl)methyl]methanesulfonamide[12 at..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s3c[1] C W1D
(4-acetylphenoxy)acetic acid[14 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s3d[1] C JFP
N-(4-methyl-1,3-thiazol-2-yl)propanamide[11 atoms]..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s3e[1] C WSY
3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic ac..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s3f[1] C W1J
N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide[1..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s3g[1] C JHS
N-[(4-phenyloxan-4-yl)methyl]acetamide[17 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5s3h[1] C W1M
3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic ..
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5s3i[1] C W1P
5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one[13 ..
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s3j[1] C W1S
(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-ca..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s3k[1] C RZS
6-(ethylamino)pyridine-3-carbonitrile[11 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s3k[2] D NHE
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID[13 atoms..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
6vxs[2] D NHE
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID[13 atoms..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
7two[1] D NHE
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID[13 atoms..
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s3l[1] C JH4
N-methylpyrimidin-2-amine[8 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s3m[1] C S2S
4-(methylsulfonylamino)benzamide[14 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s3n[1] C W1V
2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide[12 at..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5s3o[1] C W1Y
N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine[1..
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s3p[1] C W21
N-(cyclopentanecarbonyl)-L-alanine[13 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s3q[2] C W2A
(2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-ca..
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5s3q[1] D W2A
(2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-ca..
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s3r[1] C W24
(2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-..
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s3s[1] C W27
1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocycloh..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5s3t[1] C W2G
(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic..
A 100.0
/100.0
9
/9
R1AB_SARS2 Non-structural protein 3
5s3t[1] E W2G
(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic..
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s3u[1] C W2J
[(3R,5R)-5-methylpiperidin-3-yl]methanol[9 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s3v[1] C W2M
(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quin..
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s3w[1] C W2S
(3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic aci..
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s3x[1] C W2V
(3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid..
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
5s3y[1] C W2Y
(2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-ca..
B 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s3z[1] C W34
(3R,4S)-4-(3-methoxyphenyl)oxan-3-amine[15 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s40[1] C HHQ
4-iodanyl-3~{H}-pyridin-2-one[8 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s41[1] C HGQ
4-bromanyl-1~{H}-pyridin-2-one[8 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s42[1] C HH8
4-bromanyl-1,8-naphthyridine[11 atoms]
A 100.0
/100.0
8
/8
R1AB_SARS2 Non-structural protein 3
5s43[1] C UUJ
5-bromo-2-hydroxybenzonitrile[10 atoms]
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s44[1] C W3A
(4-bromo-1H-pyrazol-1-yl)acetic acid[10 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s45[1] C W3D
(4-bromo-2-oxopyridin-1(2H)-yl)acetic acid[12 atom..
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s46[1] C HYN
imidazolidine-2,4-dione[7 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s48[1] C HRZ
1~{H}-pyridin-2-one[7 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s48[1] E HRZ
1~{H}-pyridin-2-one[7 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s4a[1] C 4AP
4-AMINOPYRIDINE[7 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s4a[1] D 4AP
4-AMINOPYRIDINE[7 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
5s4a[1] E 4AP
4-AMINOPYRIDINE[7 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s4a[1] F 4AP
4-AMINOPYRIDINE[7 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s4b[1] C W3G
pyridazin-3(2H)-one[7 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s4c[1] C W3J
1,4,5,6-tetrahydropyrimidin-2-amine[7 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s4c[1] D W3J
1,4,5,6-tetrahydropyrimidin-2-amine[7 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s4c[1] E W3J
1,4,5,6-tetrahydropyrimidin-2-amine[7 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s4c[1] H W3J
1,4,5,6-tetrahydropyrimidin-2-amine[7 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s4c[1] I W3J
1,4,5,6-tetrahydropyrimidin-2-amine[7 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s4e[2] D W3M
1H-imidazole-5-carbonitrile[7 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s4e[1] E W3M
1H-imidazole-5-carbonitrile[7 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s4f[1] C W3P
1,8-naphthyridine[10 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s4g[1] C W3S
[1,2,4]triazolo[4,3-a]pyridin-3-amine[10 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s4h[1] C W3V
1-carbamoylpiperidine-4-carboxylic acid[12 atoms]
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
5s4i[1] C W3Y
(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-..
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s4j[1] C W41
6-chlorotetrazolo[1,5-b]pyridazine[10 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s4k[1] C W44
(2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-m..
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
6w02[22] C APR
ADENOSINE-5-DIPHOSPHORIBOSE[36 atoms]
A 100.0
/100.0
21
/21
R1AB_SARS2 Non-structural protein 3
6w6y[1] C AMP
ADENOSINE MONOPHOSPHATE[23 atoms]
A 100.0
/100.0
16
/16
R1AB_SARS2 Non-structural protein 3
6z6i[5] E A1R
5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLID..
A 100.0
/100.0
22
/22
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[1] X A1R
5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLID..
C 100.0
/100.0
5
/5
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[1] O MPO
3[N-MORPHOLINO]PROPANE SULFONIC ACID[13 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
8azc[1] C MPO
3[N-MORPHOLINO]PROPANE SULFONIC ACID[13 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
6z72[4] E A3R
Adenosine Diphosphate (Hydroxymethyl)pyrrolidine m..
A 100.0
/100.0
23
/23
R1AB_SARS2 Replicase polyprotein 1ab
6z72[1] R MLT
D-MALATE[9 atoms]
D 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
7bf3[2] I ADN
ADENOSINE[19 atoms]
A 100.0
/100.0
11
/11
R1AB_SARS2 NSP3 macrodomain
7bf4[1] B 5GP
GUANOSINE-5'-MONOPHOSPHATE[24 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 NSP3 macrodomain
7bf5[4] G A2R
[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY..
A 100.0
/100.0
23
/23
R1AB_SARS2 NSP3 macrodomain
7bf6[5] D U08
(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f..
A 100.0
/100.0
13
/13
R1AB_SARS2 Papain-like protease nsp3
7cmd[6] E TTT
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]be..
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
7jiw[1] B VBY
5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1..
A 100.0
/100.0
11
/11
R1A_SARS2 Papain-like protease
7jme[1] B CMP
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE[22 atoms]
A 100.0
/100.0
16
/16
R1AB_SARS2 Non-structural protein 3
7jn2[1] B Y41
3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]..
A 100.0
/100.0
9
/9
R1A_SARS2 Papain-like protease
7kol[1] B Y96
5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(n..
A 100.0
/100.0
11
/11
R1A_SARS2 Papain-like protease
7kqp[8] C AR6
[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY..
A 100.0
/100.0
23
/23
R1AB_SARS2 Non-structural protein 3
7kxb[1] B XB1
N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1..
A 100.0
/100.0
20
/20
R1AB_SARS2 Non-structural protein 3
7lbr[2] F XT7
5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R..
A 100.0
/100.0
11
/11
R1A_SARS2 Non-structural protein 3
7lbs[2] C XR8
5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-..
A 100.0
/100.0
12
/12
R1A_SARS2 Non-structural protein 3
7lg7[1] B XYJ
3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-p..
A 100.0
/100.0
17
/17
R1AB_SARS2 Non-structural protein 3
7llf[2] I Y54
5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S..
A 100.0
/100.0
11
/11
R1A_SARS2 Non-structural protein 3
7llz[2] C Y61
N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl..
A 100.0
/100.0
11
/11
R1A_SARS2 Non-structural protein 3
7los[2] E Y97
5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3..
A 100.0
/100.0
11
/11
R1A_SARS2 Non-structural protein 3
7nt4[4] C PRL
PROFLAVIN[16 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
7nt4[2] E PRL
PROFLAVIN[16 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
7ofs[1] E YRL
4-(2-hydroxyethyl)phenol[10 atoms]
A 100.0
/100.0
10
/10
R1A_SARS2 Papain-like protease nsp3
7oft[1] K HBA
P-HYDROXYBENZALDEHYDE[9 atoms]
A 100.0
/100.0
9
/9
R1A_SARS2 Papain-like protease nsp3
7ofu[1] B HE9
methyl 3,4-bis(oxidanyl)benzoate[12 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
7qcg[1] B DZI
3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylid..
A 100.0
/100.0
7
/7
R1A_SARS2 Papain-like protease nsp3
7qch[1] B A5I
N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbaz..
A 100.0
/100.0
10
/10
R1A_SARS2 Papain-like protease nsp3
7qci[1] B A6Q
N-(3,4-dihydroxybenzylidene)-thiosemicarbazone[16 ..
A 100.0
/100.0
10
/10
R1A_SARS2 Papain-like protease nsp3
7qcj[1] F A4O
N-(2,4-dihydroxybenzylidene)-thiosemicarbazone[14 ..
A 100.0
/100.0
10
/10
R1A_SARS2 Papain-like protease nsp3
7qck[1] B A7L
N-(2,5-dihydroxybenzylidene)-thiosemicarbazone[16 ..
A 100.0
/100.0
9
/9
R1A_SARS2 Papain-like protease nsp3
7rzc[3] D JWX
(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphtha..
A 100.0
/100.0
10
/10
R1A_SARS2 Non-structural protein 3
7sdr[3] D JW9
4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}met..
A 100.0
/100.0
12
/12
R1A_SARS2 Non-structural protein 3
7sgw[1] B L30
N-(naphthalen-1-yl)pyridine-3-carboxamide[19 atoms..
A 100.0
/100.0
9
/9
R1A_SARS2 Non-structural protein 3
8c19[1] D T6B
[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]..
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
8c1a[1] C T6O
aztreonam[28 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Replicase polyprotein 1ab
8eua[1] B WUK
methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]..
A 100.0
/100.0
18
/18
R1AB_SARS2 Papain-like protease nsp3
8g62[3] E YOO
3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrroli..
A 100.0
/100.0
10
/10
R1A_SARS2 Non-structural protein 3
8g62[1] F YOO
3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrroli..
A 100.0
/100.0
10
/10
R1A_SARS2 Non-structural protein 3
8g62[2] M YOO
3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrroli..
A 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
8gia[2] C ZJ3
[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd..
A 100.0
/100.0
23
/23
R1AB_SARS2 Non-structural protein 3
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
1945 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
5s2w[20] D CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
6w9c[3] E CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
7
/7
R1A_SARS2 Non-structural protein 3
6wen[1] B CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
6wzu[10] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
7jiw[6] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Papain-like protease
7jiw[3] I CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
5
/5
R1A_SARS2 Papain-like protease
7jiw[2] J CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease
7los[3] M CL
CHLORIDE ION[1 atoms]
B 100.0
/100.0
1
/1
R1A_SARS2 Non-structural protein 3
7nfv[4] F CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Papain-like protease nsp3
7oft[1] E CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
7oft[1] F CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
7oft[1] H CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Papain-like protease nsp3
7oft[2] I CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
7oft[3] J CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
7qcj[3] L CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
7qcj[1] N CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease nsp3
7qcj[1] O CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
7qcm[1] J CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
7t9w[1] Q CL
CHLORIDE ION[1 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Papain-like protease nsp3
7ti9[2] F CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Papain-like protease nsp3
8cx9[1] W CL
CHLORIDE ION[1 atoms]
D 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
8fwo[1] H CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 Papain-like protease nsp3
8g62[3] I CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
8ilc[1] G CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
8ilc[1] H CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease nsp3
6w9c[53] D ZN
ZINC ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
6w9c[4] H ZN
ZINC ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Non-structural protein 3
7cmd[1] G ZN
ZINC ION[1 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 Non-structural protein 3
7cmd[1] J ZN
ZINC ION[1 atoms]
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
7cmd[2] K ZN
ZINC ION[1 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
7cmd[1] L ZN
ZINC ION[1 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
7jiw[3] D ZN
ZINC ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease
7jiw[3] E ZN
ZINC ION[1 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease
7jiw[3] F ZN
ZINC ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease
7jn2[1] D ZN
ZINC ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Papain-like protease
8cx9[4] M ZN
ZINC ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Papain-like protease nsp3
8eua[1] D ZN
ZINC ION[1 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 Papain-like protease nsp3
6ywk[4] I MG
MAGNESIUM ION[1 atoms]
C 100.0
/100.0
1
/4
R1AB_SARS2 NSP3 macrodomain
6ywm[2] O MG
MAGNESIUM ION[1 atoms]
C 100.0
/100.0
1
/1
R1AB_SARS2 NSP3 macrodomain
6z5t[6] D NA
SODIUM ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[1] K NA
SODIUM ION[1 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[1] L NA
SODIUM ION[1 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[2] Q NA
SODIUM ION[1 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[3] AA NA
SODIUM ION[1 atoms]
C 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[1] BA NA
SODIUM ION[1 atoms]
C 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[1] Z NA
SODIUM ION[1 atoms]
C 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[1] KA NA
SODIUM ION[1 atoms]
D 100.0
/100.0
4
/4
R1AB_SARS2 Replicase polyprotein 1ab
8cx9[2] R NA
SODIUM ION[1 atoms]
B 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
7jn2[2] M UNX
UNKNOWN ATOM OR ION[1 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease
7oft[1] L K
POTASSIUM ION[1 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease nsp3
7oft[1] M K
POTASSIUM ION[1 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
7thh[1] K IOD
IODIDE ION[1 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Papain-like protease nsp3
8cx9[1] N BR
BROMIDE ION[1 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
8cx9[1] P BR
BROMIDE ION[1 atoms]
B 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
8cx9[1] Q BR
BROMIDE ION[1 atoms]
B 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
8cx9[1] V BR
BROMIDE ION[1 atoms]
D 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
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
1945 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
6w9c[8] B R1A_SARS2 Non-structural protein 3[307 aa] A 100.0
/100.0
5
/5
R1A_SARS2 Non-structural protein 3
7kag[4] B R1AB_SARS2 Non-structural protein 3[111 aa] A 100.0
/100.0
12
/12
R1AB_SARS2 Non-structural protein 3
7wzo[2] C R1A_SARS2 nsp3[110 aa] B 100.0
/100.0
4
/4
R1A_SARS2 nsp3
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
1945 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
5rsx[20] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5rtv[1] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s18[3] E DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s34[3] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s3c[1] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s3d[1] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5s3d[1] E DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 Non-structural protein 3
5s4a[2] G DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5s4c[1] G DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5s47[1] C BAQ
pyrrolidin-2-one[6 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s47[1] D BAQ
pyrrolidin-2-one[6 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
5s49[2] C 3TR
3-AMINO-1,2,4-TRIAZOLE[6 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s49[1] F 3TR
3-AMINO-1,2,4-TRIAZOLE[6 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s4d[1] C 2OP
(2S)-2-HYDROXYPROPANOIC ACID[6 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
5s4f[1] D SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5s4g[3] D SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
5s4g[3] E SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
7jrn[1] E SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Non-structural protein 3
7jrn[4] F SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Non-structural protein 3
7jrn[13] I SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
3
/3
R1A_SARS2 Non-structural protein 3
7jrn[1] J SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
5
/5
R1A_SARS2 Non-structural protein 3
7kag[7] L SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
7lbr[10] D SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
5
/5
R1A_SARS2 Non-structural protein 3
7lbs[1] H SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
7lg7[1] E SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
1
/1
R1AB_SARS2 Non-structural protein 3
7lg7[1] F SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
7llf[2] H SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Non-structural protein 3
7llz[1] G SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Non-structural protein 3
7llz[3] L SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
5
/5
R1A_SARS2 Non-structural protein 3
7nt4[1] K SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
7nt4[1] T SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
7nt4[2] U SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
8eua[1] F SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Papain-like protease nsp3
8ilc[1] B SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Papain-like protease nsp3
8ilc[1] C SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease nsp3
8ilc[1] D SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
8ilc[1] E SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
5s74[93] C EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
5s74[3] E EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
5s74[9] F EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
5s74[4] G EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
6ywk[17] K EDO
1,2-ETHANEDIOL[4 atoms]
C 100.0
/100.0
6
/6
R1AB_SARS2 NSP3 macrodomain
6ywk[2] L EDO
1,2-ETHANEDIOL[4 atoms]
C 100.0
/100.0
2
/3
R1AB_SARS2 NSP3 macrodomain
6ywk[5] M EDO
1,2-ETHANEDIOL[4 atoms]
C 100.0
/100.0
2
/2
R1AB_SARS2 NSP3 macrodomain
6ywk[1] Z EDO
1,2-ETHANEDIOL[4 atoms]
D 100.0
/100.0
1
/1
R1AB_SARS2 NSP3 macrodomain
6ywm[1] I EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 NSP3 macrodomain
6z6i[1] IA EDO
1,2-ETHANEDIOL[4 atoms]
D 100.0
/100.0
1
/1
R1AB_SARS2 Replicase polyprotein 1ab
6z72[1] G EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Replicase polyprotein 1ab
7bf6[1] E EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Papain-like protease nsp3
7kag[1] C EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
7kag[2] H EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
7nt4[8] F EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
11
/11
R1AB_SARS2 Non-structural protein 3
7nt4[1] H EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
7nt4[1] I EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
7nt4[1] P EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
7nt4[1] R EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
7rzc[2] O EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
5
/5
R1A_SARS2 Non-structural protein 3
6w6y[5] D MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
B 100.0
/100.0
11
/11
R1AB_SARS2 Non-structural protein 3
6wcf[1] C MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
7jiw[2] K MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
A 100.0
/100.0
6
/6
R1A_SARS2 Papain-like protease
6wzu[11] C GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
6wzu[1] H GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
6xa9[4] G GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
6xa9[2] H GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
6xa9[2] I GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
6xa9[1] P GOL
GLYCEROL[6 atoms]
E 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
6z6i[1] H GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
10
/10
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[4] N GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[2] S GOL
GLYCEROL[6 atoms]
C 100.0
/100.0
4
/4
R1AB_SARS2 Replicase polyprotein 1ab
7kg3[2] E GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
7lbr[5] G GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Non-structural protein 3
7lbr[2] L GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
7lbs[1] M GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
6
/6
R1A_SARS2 Non-structural protein 3
7lbs[1] N GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
6
/6
R1A_SARS2 Non-structural protein 3
7nfv[2] C GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
6
/6
R1A_SARS2 Papain-like protease nsp3
7ofu[8] D GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
7
/7
R1A_SARS2 Papain-like protease nsp3
7qcg[1] C GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
7qcj[2] E GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Papain-like protease nsp3
7t9w[1] R GOL
GLYCEROL[6 atoms]
D 100.0
/100.0
3
/3
R1AB_SARS2 Papain-like protease nsp3
7ti9[2] B GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Papain-like protease nsp3
8f2e[2] B GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Papain-like protease nsp3
8f2e[1] C GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Papain-like protease nsp3
8f2e[1] D GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Papain-like protease nsp3
8f2e[1] G GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Papain-like protease nsp3
6wzu[1] D PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
6wzu[1] E PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
7nfv[10] E PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
5
/5
R1A_SARS2 Papain-like protease nsp3
7ofu[3] G PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
5
/5
R1A_SARS2 Papain-like protease nsp3
7ofu[3] H PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
7ofu[6] I PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease nsp3
7qch[3] G PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease nsp3
7qci[1] I PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease nsp3
7qcj[2] J PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
1
/1
R1A_SARS2 Papain-like protease nsp3
7qcj[1] K PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Papain-like protease nsp3
6ywk[2] J EPE
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACI..
C 100.0
/100.0
6
/6
R1AB_SARS2 NSP3 macrodomain
6ywk[1] CA EPE
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACI..
E 100.0
/100.0
11
/11
R1AB_SARS2 NSP3 macrodomain
7jn2[1] L ACT
ACETATE ION[4 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease
7twp[2] C ACT
ACETATE ION[4 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
8g62[3] J ACT
ACETATE ION[4 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Non-structural protein 3
8g62[2] K ACT
ACETATE ION[4 atoms]
A 100.0
/100.0
6
/6
R1A_SARS2 Non-structural protein 3
8g62[1] L ACT
ACETATE ION[4 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
7kg3[1] B MLI
MALONATE ION[7 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
7kg3[1] C MLI
MALONATE ION[7 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 Non-structural protein 3
7kxb[1] C BME
BETA-MERCAPTOETHANOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
7lbs[2] F BO3
BORIC ACID[4 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
7lbs[2] G BO3
BORIC ACID[4 atoms]
A 100.0
/100.0
7
/7
R1A_SARS2 Non-structural protein 3
7lbs[1] I BO3
BORIC ACID[4 atoms]
A 100.0
/100.0
10
/10
R1A_SARS2 Non-structural protein 3
7lbs[1] O BO3
BORIC ACID[4 atoms]
B 100.0
/100.0
2
/2
R1A_SARS2 Non-structural protein 3
7thh[1] L P6G
HEXAETHYLENE GLYCOL[19 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Papain-like protease nsp3
7twj[3] C CIT
CITRIC ACID[13 atoms]
A 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
7twj[3] D CIT
CITRIC ACID[13 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
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.