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4OW0

X-Ray Structural and Biological Evaluation of a Series of Potent and Highly Selective Inhibitors of Human Coronavirus Papain-Like Proteases

Functional Information from GO Data
ChainGOidnamespacecontents
A0006508biological_processproteolysis
A0008234molecular_functioncysteine-type peptidase activity
B0006508biological_processproteolysis
B0008234molecular_functioncysteine-type peptidase activity
Functional Information from PDB Data
site_idAC1
Number of Residues4
Detailsbinding site for residue ZN A 901
ChainResidue
ACYS190
ACYS193
ACYS225
ACYS227

site_idAC2
Number of Residues14
Detailsbinding site for residue S88 A 902
ChainResidue
ATYR269
AGLN270
ATYR274
ATHR302
ADMS903
BMET209
BGLY210
BPRO248
BTYR269
ALEU163
AGLY164
AASP165
APRO249
ATYR265

site_idAC3
Number of Residues6
Detailsbinding site for residue DMS A 903
ChainResidue
ALYS158
ALEU163
ATYR269
AS88902
AHOH1057
BMET209

site_idAC4
Number of Residues3
Detailsbinding site for residue GOL A 904
ChainResidue
AGLN233
BVAL160
BGLU162

site_idAC5
Number of Residues5
Detailsbinding site for residue DMS A 905
ChainResidue
AGLU125
AASN178
ASER240
ASER241
AHOH1046

site_idAC6
Number of Residues4
Detailsbinding site for residue ZN B 901
ChainResidue
BCYS190
BCYS193
BCYS225
BCYS227

site_idAC7
Number of Residues11
Detailsbinding site for residue S88 B 902
ChainResidue
AMET209
AGLY210
APRO248
ATYR269
BGLY164
BASP165
BPRO249
BTYR265
BTYR269
BTYR274
BTHR302

site_idAC8
Number of Residues4
Detailsbinding site for residue DMS B 903
ChainResidue
AGLY82
ASER86
BTHR199
BHOH1022

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues74
DetailsZN_FING: C4-type => ECO:0000255|PROSITE-ProRule:PRU00444, ECO:0000269|PubMed:16306590
ChainResidueDetails
ACYS190-CYS227
BCYS190-CYS227

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: For PL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00444
ChainResidueDetails
AOCS112
BOCS112

site_idSWS_FT_FI3
Number of Residues4
DetailsACT_SITE: For PL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00444, ECO:0000269|PubMed:16306590
ChainResidueDetails
BHIS273
BASP287
AHIS273
AASP287

site_idSWS_FT_FI4
Number of Residues8
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00444
ChainResidueDetails
ACYS225
ACYS227
BCYS190
BCYS193
BCYS225
BCYS227
ACYS190
ACYS193

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PDB entries from 2024-06-12

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