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PID QueryLength Homolgous Sequence in PDB UniProt Query TITLE
13602 1945 500 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 (1-3,111-137,139-209,378-414,1066-1066,1211-1233,1235-1236,1239-1239,1822-1833,1931-1931,1935-1945)

MONOMER
1945
pdb_id a1 identity[%]2 description
6wuu B 99.4 R1AB_SARS2 Non-structural protein 3
2w2g A 76.3 R1A_CVHSA NON-STRUCTURAL PROTEIN 3
6z6i C 100.0 R1AB_SARS2 Replicase polyprotein 1ab
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
6wx4[5] B VIR251[5 aa] A 100.0
/99.7
16
/16
R1AB_SARS2 Non-structural protein 3
6yva[1] B ISG15_MOUSE Ubiquitin-like protein ISG15[155 aa] A 96.6
/99.6
29
/29
R1A_SARS2 Replicase polyprotein 1a
6xa9[5] B ISG15_HUMAN ISG15 CTD-propargylamide[80 aa] A 100.0
/100.0
22
/22
R1AB_SARS2 Non-structural protein 3
5tl7[2] C ISG15_MOUSE Ubiquitin-like protein ISG15[77 aa] D 91.7
/82.7
24
/24
R1AB_CVHSA Replicase polyprotein 1ab
5e6j[2] F UBB_HUMAN Polyubiquitin-B[75 aa] D 70.0
/82.7
10
/10
R1AB_CVHSA Replicase polyprotein 1ab
4m0w[5] B RS27A_BOVIN Ubiquitin[76 aa] A 88.5
/82.3
26
/26
R1A_CVHSA Replicase polyprotein 1a
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
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
7bf5[4] V A2R
[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY..
E 100.0
/100.0
21
/21
R1AB_SARS2 NSP3 macrodomain
5s4a[1] F 4AP
4-AMINOPYRIDINE[7 atoms]
B 100.0
/100.0
5
/5
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
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
7kqp[1] 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
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
5s42[1] C HH8
4-bromanyl-1,8-naphthyridine[11 atoms]
A 100.0
/100.0
8
/8
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
7krx[2] B Y41
3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]..
A 100.0
/99.7
11
/11
R1A_SARS2 Papain-like protease
7bf3[2] L ADN
ADENOSINE[19 atoms]
B 100.0
/100.0
6
/6
R1AB_SARS2 NSP3 macrodomain
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
6z6i[5] R A1R
5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLID..
C 100.0
/100.0
23
/23
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
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
7jiv[2] B VBY
5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1..
A 100.0
/99.7
11
/11
R1A_SARS2 Papain-like protease
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
7jme[1] B CMP
ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE[22 atoms]
A 100.0
/100.0
16
/16
R1AB_SARS2 Non-structural protein 3
4m0w[1] F NHE
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID[13 atoms..
A 83.3
/82.3
6
/6
R1A_CVHSA Replicase polyprotein 1a
4m0w[1] E NHE
2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID[13 atoms..
A 85.7
/82.3
7
/7
R1A_CVHSA Replicase polyprotein 1a
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
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
5s48[1] E HRZ
1~{H}-pyridin-2-one[7 atoms]
B 100.0
/100.0
4
/4
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
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] 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] H W3J
1,4,5,6-tetrahydropyrimidin-2-amine[7 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
5s4e[1] F W3M
1H-imidazole-5-carbonitrile[7 atoms]
B 100.0
/100.0
4
/4
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
7cmd[7] I TTT
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]be..
B 100.0
/100.0
10
/10
R1AB_SARS2 Non-structural protein 3
7jir[2] B TTT
5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]be..
A 100.0
/99.7
11
/11
R1A_SARS2 Papain-like protease
7lbs[2] J XR8
5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-..
B 100.0
/100.0
11
/11
R1A_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
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
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
6z72[4] M A3R
Adenosine Diphosphate (Hydroxymethyl)pyrrolidine m..
C 100.0
/100.0
20
/20
R1AB_SARS2 Replicase polyprotein 1ab
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
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
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
7llf[2] N Y54
5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S..
B 100.0
/100.0
11
/11
R1A_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
5s2y[1] C W0M
(2R)-2-(4-chlorophenoxy)propanamide[13 atoms]
B 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
6z72[1] R MLT
D-MALATE[9 atoms]
D 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
7bf6[3] H U08
(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f..
B 100.0
/100.0
14
/14
R1AB_SARS2 NSP3 macrodomain
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
5s2v[1] C W0G
(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-..
B 100.0
/100.0
4
/4
R1AB_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
5s3q[1] E W2A
(2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-ca..
B 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
6woj[17] H APR
ADENOSINE-5-DIPHOSPHORIBOSE[36 atoms]
D 100.0
/100.0
23
/23
R1AB_SARS2 Non-structural protein 3
6z6i[1] O MPO
3[N-MORPHOLINO]PROPANE SULFONIC ACID[13 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
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
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
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
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
7bf4[1] B 5GP
GUANOSINE-5'-MONOPHOSPHATE[24 atoms]
A 100.0
/100.0
7
/7
R1AB_SARS2 NSP3 macrodomain
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
5s43[1] C UUJ
5-bromo-2-hydroxybenzonitrile[10 atoms]
B 100.0
/100.0
6
/6
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
7jit[1] B Y95
5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(..
A 100.0
/99.7
11
/11
R1A_SARS2 Papain-like protease
7m1y[2] S 9JT
~{N}-phenyl-2-selanyl-benzamide[16 atoms]
B 100.0
/99.7
6
/6
R1A_SARS2 Papain-like protease
7koj[1] B Y94
2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(pr..
A 100.0
/99.7
11
/11
R1A_SARS2 Papain-like protease
7kol[2] B Y96
5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(n..
A 100.0
/100.0
11
/11
R1A_SARS2 Papain-like protease
7e35[2] F GYX
N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen..
B 100.0
/99.7
10
/10
R1AB_SARS2 Non-structural protein 3
7e35[2] D GYX
N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen..
B 100.0
/99.7
2
/2
R1AB_SARS2 Non-structural protein 3
4ow0[2] I S88
N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-..
B 100.0
/81.1
10
/10
R1A_CVHSA papain-like protease
4ovz[2] G P85
N-[(4-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-..
B 100.0
/81.3
11
/11
R1A_CVHSA Papain-like proteinase
3mj5[2] C GRM
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthale..
A 100.0
/82.7
9
/9
R1A_CVHSA Replicase polyprotein 1a
3mj5[2] E GRM
N-(1,3-benzodioxol-5-ylmethyl)-1-[(1R)-1-naphthale..
A 100.0
/82.7
4
/4
R1A_CVHSA Replicase polyprotein 1a
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
5y3q[2] H NA
SODIUM ION[1 atoms]
A 100.0
/82.8
7
/7
R1A_CVHSA Replicase polyprotein 1a
5y3q[2] F NA
SODIUM ION[1 atoms]
A 83.3
/82.8
6
/6
R1A_CVHSA Replicase polyprotein 1a
5y3q[3] D NA
SODIUM ION[1 atoms]
A 100.0
/82.8
4
/4
R1A_CVHSA Replicase polyprotein 1a
4m0w[1] D NA
SODIUM ION[1 atoms]
A 20.0
/82.3
5
/5
R1A_CVHSA Replicase polyprotein 1a
6z72[6] I NA
SODIUM ION[1 atoms]
A 100.0
/100.0
6
/6
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
7m1y[3] CA NA
SODIUM ION[1 atoms]
B 100.0
/99.7
3
/3
R1A_SARS2 Papain-like protease
6z6i[2] Y NA
SODIUM ION[1 atoms]
C 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
5y3e[2] D NA
SODIUM ION[1 atoms]
A 40.0
/82.8
5
/5
R1A_CVHSA Replicase polyprotein 1a
5y3e[4] F NA
SODIUM ION[1 atoms]
A 100.0
/82.8
3
/3
R1A_CVHSA Replicase polyprotein 1a
6z6i[1] K NA
SODIUM ION[1 atoms]
A 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
7bf3[4] M 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
6wuu[1] K MG
MAGNESIUM ION[1 atoms]
B 100.0
/99.4
1
/1
R1AB_SARS2 Non-structural protein 3
6wuu[1] M MG
MAGNESIUM ION[1 atoms]
C 100.0
/99.7
1
/1
R1AB_SARS2 Non-structural protein 3
6wuu[1] O MG
MAGNESIUM ION[1 atoms]
D 100.0
/99.7
5
/5
R1AB_SARS2 Non-structural protein 3
6wuu[1] P MG
MAGNESIUM ION[1 atoms]
D 100.0
/99.7
2
/2
R1AB_SARS2 Non-structural protein 3
7d47[1] F CA
CALCIUM ION[1 atoms]
B 75.0
/99.7
4
/4
R1A_SARS2 Non-structural protein 3
7d47[1] D CA
CALCIUM ION[1 atoms]
A 100.0
/99.7
1
/1
R1A_SARS2 Non-structural protein 3
7m1y[2] K IOD
IODIDE ION[1 atoms]
A 100.0
/99.7
1
/1
R1A_SARS2 Papain-like protease
7m1y[2] L IOD
IODIDE ION[1 atoms]
A 100.0
/99.7
2
/2
R1A_SARS2 Papain-like protease
7m1y[2] G IOD
IODIDE ION[1 atoms]
A 100.0
/99.7
3
/3
R1A_SARS2 Papain-like protease
7m1y[2] Q IOD
IODIDE ION[1 atoms]
B 100.0
/99.7
1
/1
R1A_SARS2 Papain-like protease
7m1y[2] H IOD
IODIDE ION[1 atoms]
A 100.0
/99.7
4
/4
R1A_SARS2 Papain-like protease
7m1y[1] Y IOD
IODIDE ION[1 atoms]
B 100.0
/99.7
1
/1
R1A_SARS2 Papain-like protease
7m1y[2] X IOD
IODIDE ION[1 atoms]
B 100.0
/99.7
4
/4
R1A_SARS2 Papain-like protease
7koj[18] H CL
CHLORIDE ION[1 atoms]
A 100.0
/99.7
1
/1
R1A_SARS2 Papain-like protease
7jir[9] G CL
CHLORIDE ION[1 atoms]
A 100.0
/99.7
6
/6
R1A_SARS2 Papain-like protease
7los[1] M CL
CHLORIDE ION[1 atoms]
B 100.0
/100.0
1
/1
R1A_SARS2 Non-structural protein 3
7m1y[2] E CL
CHLORIDE ION[1 atoms]
A 100.0
/99.7
4
/4
R1A_SARS2 Papain-like protease
7jn2[3] K CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Papain-like protease
6w9c[3] E CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
7
/7
R1A_SARS2 Non-structural protein 3
7kol[4] I CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease
6wrh[3] F CL
CHLORIDE ION[1 atoms]
A 100.0
/99.7
3
/3
R1AB_SARS2 Non-structural protein 3
3e9s[1] E CL
CHLORIDE ION[1 atoms]
A 75.0
/82.7
4
/4
R1A_CVHSA Non-structural protein 3
7nfv[1] F CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
7nfv[1] D CL
CHLORIDE ION[1 atoms]
A 100.0
/100.0
3
/3
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
7kok[19] R UNX
UNKNOWN ATOM OR ION[1 atoms]
A 100.0
/99.7
2
/2
R1A_SARS2 Papain-like protease
7koj[11] R UNX
UNKNOWN ATOM OR ION[1 atoms]
A 100.0
/99.7
2
/2
R1A_SARS2 Papain-like protease
7cmd[1] K ZN
ZINC ION[1 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
7jit[9] F ZN
ZINC ION[1 atoms]
A 100.0
/99.7
1
/1
R1A_SARS2 Papain-like protease
3mj5[74] F ZN
ZINC ION[1 atoms]
B 66.7
/81.3
6
/6
R1A_CVHSA Replicase polyprotein 1a
7jit[7] D ZN
ZINC ION[1 atoms]
A 100.0
/99.7
3
/3
R1A_SARS2 Papain-like protease
7kok[9] E ZN
ZINC ION[1 atoms]
A 100.0
/99.7
2
/2
R1A_SARS2 Papain-like protease
7cjm[1] D ZN
ZINC ION[1 atoms]
A 100.0
/99.7
2
/2
R1AB_SARS2 Non-structural protein 3
7d6h[1] B ZN
ZINC ION[1 atoms]
A 100.0
/99.7
4
/4
R1A_SARS2 Papain-like protease
6w9c[4] H ZN
ZINC ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Non-structural protein 3
7jn2[3] G ZN
ZINC ION[1 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease
7cmd[1] J ZN
ZINC ION[1 atoms]
B 100.0
/100.0
6
/6
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
7cjm[1] C ZN
ZINC ION[1 atoms]
A 100.0
/99.7
1
/1
R1AB_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
2fe8[6] J BR
BROMIDE ION[1 atoms]
B 75.0
/82.7
4
/4
R1AB_CVHSA Replicase polyprotein 1ab
2fe8[6] P BR
BROMIDE ION[1 atoms]
C 100.0
/82.7
3
/3
R1AB_CVHSA Replicase polyprotein 1ab
2fe8[6] L BR
BROMIDE ION[1 atoms]
B 100.0
/82.7
4
/4
R1AB_CVHSA Replicase polyprotein 1ab
5e6j[1] H NI
NICKEL (II) ION[1 atoms]
A 0.0
/82.0
2
/2
R1AB_CVHSA Replicase polyprotein 1ab
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
7cjd[14] B R1AB_SARS2 Non-structural protein 3[297 aa] D 100.0
/99.7
14
/14
R1AB_SARS2 Non-structural protein 3
7e35[2] B R1AB_SARS2 Non-structural protein 3[315 aa] A 100.0
/99.7
22
/22
R1AB_SARS2 Non-structural protein 3
6xg3[2] A R1AB_SARS2 Non-structural protein 3[313 aa] A 100.0
/99.7
24
/24
R1AB_SARS2 Non-structural protein 3
7cjd[2] D R1AB_SARS2 Non-structural protein 3[310 aa] A 100.0
/99.7
14
/14
R1AB_SARS2 Non-structural protein 3
2fe8[6] A R1AB_CVHSA Replicase polyprotein 1ab[315 aa] C 87.5
/82.7
16
/16
R1AB_CVHSA Replicase polyprotein 1ab
2fe8[6] C R1AB_CVHSA Replicase polyprotein 1ab[313 aa] C 75.0
/82.7
8
/9
R1AB_CVHSA Replicase polyprotein 1ab
2fe8[8] A R1AB_CVHSA Replicase polyprotein 1ab[315 aa] B 75.0
/82.7
16
/16
R1AB_CVHSA Replicase polyprotein 1ab
2wct[6] C R1A_CVHSA NON-STRUCTURAL PROTEIN 3[252 aa] B 79.2
/76.3
24
/24
R1A_CVHSA 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.
PRECIPITANT
1945 pdb_id contact mol homologue
a3 description a4 identity[%]5 Ncon6 description
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
7d6h[1] C PO4
PHOSPHATE ION[5 atoms]
A 83.3
/99.7
6
/6
R1A_SARS2 Papain-like protease
6xg3[3] C PO4
PHOSPHATE ION[5 atoms]
A 83.3
/99.7
6
/6
R1AB_SARS2 Non-structural protein 3
6wrh[2] D PO4
PHOSPHATE ION[5 atoms]
A 100.0
/99.7
2
/2
R1AB_SARS2 Non-structural protein 3
6wrh[2] E PO4
PHOSPHATE ION[5 atoms]
A 100.0
/99.7
5
/5
R1AB_SARS2 Non-structural protein 3
7nfv[1] E PO4
PHOSPHATE ION[5 atoms]
A 100.0
/100.0
5
/5
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
7llf[2] E BO3
BORIC ACID[4 atoms]
A 100.0
/100.0
3
/3
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
7lbs[1] I BO3
BORIC ACID[4 atoms]
A 100.0
/100.0
10
/10
R1A_SARS2 Non-structural protein 3
6ywk[45] AA EDO
1,2-ETHANEDIOL[4 atoms]
D 100.0
/100.0
4
/4
R1AB_SARS2 NSP3 macrodomain
6z6i[23] I EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
6ywl[15] Z EDO
1,2-ETHANEDIOL[4 atoms]
E 100.0
/100.0
6
/6
R1AB_SARS2 NSP3 macrodomain
6z72[2] N EDO
1,2-ETHANEDIOL[4 atoms]
C 100.0
/100.0
4
/4
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
5s74[2] G EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
6
/6
R1AB_SARS2 Non-structural protein 3
6ywk[1] Z EDO
1,2-ETHANEDIOL[4 atoms]
D 100.0
/100.0
1
/1
R1AB_SARS2 NSP3 macrodomain
6ywk[1] F EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
2
/2
R1AB_SARS2 NSP3 macrodomain
6ywm[1] I EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 NSP3 macrodomain
6z72[3] K EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[2] U EDO
1,2-ETHANEDIOL[4 atoms]
C 100.0
/100.0
2
/2
R1AB_SARS2 Replicase polyprotein 1ab
5s74[7] F EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
7cjd[1] G EDO
1,2-ETHANEDIOL[4 atoms]
B 100.0
/99.7
1
/1
R1AB_SARS2 Non-structural protein 3
6ywk[1] W EDO
1,2-ETHANEDIOL[4 atoms]
D 100.0
/100.0
1
/1
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
7bf6[1] E EDO
1,2-ETHANEDIOL[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 NSP3 macrodomain
5s1c[3] E DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
4ow0[1] J DMS
DIMETHYL SULFOXIDE[4 atoms]
B 50.0
/81.1
2
/2
R1A_CVHSA papain-like protease
5s42[1] D DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
4ovz[1] I DMS
DIMETHYL SULFOXIDE[4 atoms]
B 33.3
/81.3
3
/3
R1A_CVHSA Papain-like proteinase
5s4c[2] F DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
4ovz[3] K DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/81.3
4
/4
R1A_CVHSA Papain-like proteinase
4ow0[1] G DMS
DIMETHYL SULFOXIDE[4 atoms]
A 60.0
/82.6
5
/5
R1A_CVHSA papain-like protease
4ovz[1] L DMS
DIMETHYL SULFOXIDE[4 atoms]
B 66.7
/81.3
6
/6
R1A_CVHSA Papain-like proteinase
5s4c[1] G DMS
DIMETHYL SULFOXIDE[4 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
4ovz[1] J DMS
DIMETHYL SULFOXIDE[4 atoms]
B 100.0
/81.3
3
/3
R1A_CVHSA Papain-like proteinase
7los[10] K SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
3
/3
R1A_SARS2 Non-structural protein 3
7llz[3] G SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Non-structural protein 3
7llz[16] E SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
5
/5
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
7los[2] H SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
1
/1
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
7llz[1] L SO4
SULFATE ION[5 atoms]
B 100.0
/100.0
5
/5
R1A_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
6vxs[3] C SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
4
/4
R1AB_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
5tl6[1] F SO4
SULFATE ION[5 atoms]
A 100.0
/82.9
3
/3
R1AB_CVHSA Replicase polyprotein 1ab
6vxs[2] E SO4
SULFATE ION[5 atoms]
A 100.0
/100.0
4
/4
R1AB_SARS2 Non-structural protein 3
7koj[5] J MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
A 100.0
/99.7
3
/3
R1A_SARS2 Papain-like protease
6ywm[4] N MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
C 100.0
/100.0
9
/9
R1AB_SARS2 NSP3 macrodomain
6wcf[1] C MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
A 100.0
/100.0
5
/5
R1AB_SARS2 Non-structural protein 3
7kol[2] K MES
2-(N-MORPHOLINO)-ETHANESULFONIC ACID[12 atoms]
A 100.0
/100.0
6
/6
R1A_SARS2 Papain-like protease
6ywk[2] DA EPE
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACI..
E 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
7m1y[1] BA FMT
FORMIC ACID[3 atoms]
B 100.0
/99.7
4
/4
R1A_SARS2 Papain-like protease
7m1y[1] N FMT
FORMIC ACID[3 atoms]
A 100.0
/99.7
3
/3
R1A_SARS2 Papain-like protease
7m1y[1] M FMT
FORMIC ACID[3 atoms]
A 100.0
/99.7
3
/3
R1A_SARS2 Papain-like protease
7m1y[1] O FMT
FORMIC ACID[3 atoms]
A 100.0
/99.7
4
/4
R1A_SARS2 Papain-like protease
7krx[6] J ACT
ACETATE ION[4 atoms]
A 83.3
/99.7
6
/6
R1A_SARS2 Papain-like protease
7koj[2] L ACT
ACETATE ION[4 atoms]
A 100.0
/99.7
5
/5
R1A_SARS2 Papain-like protease
7jn2[2] L ACT
ACETATE ION[4 atoms]
A 100.0
/100.0
2
/2
R1A_SARS2 Papain-like protease
5e6j[1] G ACT
ACETATE ION[4 atoms]
A 83.3
/82.0
6
/6
R1AB_CVHSA Replicase polyprotein 1ab
5y3q[2] J GOL
GLYCEROL[6 atoms]
A 100.0
/82.8
6
/6
R1A_CVHSA Replicase polyprotein 1a
7m1y[4] F GOL
GLYCEROL[6 atoms]
A 100.0
/99.7
5
/5
R1A_SARS2 Papain-like protease
7nfv[1] C GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
6
/6
R1A_SARS2 Non-structural protein 3
4m0w[4] H GOL
GLYCEROL[6 atoms]
A 66.7
/82.3
6
/6
R1A_CVHSA Replicase polyprotein 1a
7lbr[2] L GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
4
/4
R1A_SARS2 Non-structural protein 3
6z6i[3] DA GOL
GLYCEROL[6 atoms]
D 100.0
/100.0
5
/5
R1AB_SARS2 Replicase polyprotein 1ab
4m0w[3] G GOL
GLYCEROL[6 atoms]
A 100.0
/82.3
5
/5
R1A_CVHSA Replicase polyprotein 1a
7lbr[1] G GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1A_SARS2 Non-structural protein 3
4ow0[1] F GOL
GLYCEROL[6 atoms]
A 66.7
/82.6
3
/3
R1A_CVHSA papain-like protease
7lbs[1] M GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
6
/6
R1A_SARS2 Non-structural protein 3
6z6i[2] S GOL
GLYCEROL[6 atoms]
C 100.0
/100.0
4
/4
R1AB_SARS2 Replicase polyprotein 1ab
6xa9[2] H GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
3
/3
R1AB_SARS2 Non-structural protein 3
6xa9[3] K GOL
GLYCEROL[6 atoms]
C 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] N GOL
GLYCEROL[6 atoms]
B 100.0
/100.0
3
/3
R1AB_SARS2 Replicase polyprotein 1ab
6z6i[1] H GOL
GLYCEROL[6 atoms]
A 100.0
/100.0
10
/10
R1AB_SARS2 Replicase polyprotein 1ab
5y3e[1] J GOL
GLYCEROL[6 atoms]
A 100.0
/82.8
5
/5
R1A_CVHSA Replicase polyprotein 1a
5y3q[1] C BME
BETA-MERCAPTOETHANOL[4 atoms]
A 100.0
/82.8
6
/6
R1A_CVHSA Replicase polyprotein 1a
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.