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4OVZ

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 P85 A 902
ChainResidue
ATYR269
AGLN270
ATYR274
ATHR302
ADMS903
BMET209
BGLY210
BPRO248
BTYR269
ALEU163
AGLY164
AASP165
APRO249
ATYR265

site_idAC3
Number of Residues5
Detailsbinding site for residue DMS A 903
ChainResidue
ALYS158
ALEU163
AGLU168
AP85902
BMET209

site_idAC4
Number of Residues4
Detailsbinding site for residue ZN B 901
ChainResidue
BCYS190
BCYS193
BCYS225
BCYS227

site_idAC5
Number of Residues14
Detailsbinding site for residue P85 B 902
ChainResidue
AMET209
AGLY210
APRO248
ATYR269
BLEU163
BGLY164
BASP165
BPRO249
BTYR265
BTYR269
BGLN270
BTYR274
BTHR302
BDMS906

site_idAC6
Number of Residues4
Detailsbinding site for residue NA B 903
ChainResidue
BLYS218
BLEU235
BTYR311
BTHR313

site_idAC7
Number of Residues4
Detailsbinding site for residue DMS B 904
ChainResidue
BGLN256
BLEU260
BALA279
BGLU281

site_idAC8
Number of Residues4
Detailsbinding site for residue DMS B 905
ChainResidue
ATHR199
ATHR201
BGLY82
BARG83

site_idAC9
Number of Residues6
Detailsbinding site for residue DMS B 906
ChainResidue
AARG167
BLYS158
BGLY164
BTYR269
BP85902
BHOH1026

site_idAD1
Number of Residues6
Detailsbinding site for residue DMS B 907
ChainResidue
BTYR252
BLYS253
BLEU254
BGLN255
BTHR258
BTYR306

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues37
DetailsZN_FING: C4-type => ECO:0000255|PROSITE-ProRule:PRU00444, ECO:0000269|PubMed:16306590
ChainResidueDetails
BCYS190-CYS227

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: For PL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00444
ChainResidueDetails
BOCS112

site_idSWS_FT_FI3
Number of Residues2
DetailsACT_SITE: For PL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00444, ECO:0000269|PubMed:16306590
ChainResidueDetails
BHIS273
BASP287

site_idSWS_FT_FI4
Number of Residues4
DetailsBINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00444
ChainResidueDetails
BCYS190
BCYS193
BCYS225
BCYS227

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PDB entries from 2024-07-10

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