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4YOI

Structure of HKU4 3CLpro bound to non-covalent inhibitor 1A

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
B0008233molecular_functionpeptidase activity
B0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues18
Detailsbinding site for residue 4F4 A 401
ChainResidue
ASER24
ACYS145
ACYS148
AHIS166
AMET168
AGLU169
AASP190
ALYS191
AGLN192
AHOH717
AMET25
AHIS41
ACYS44
AALA46
ALEU49
ATYR54
APHE143
ALEU144

site_idAC2
Number of Residues3
Detailsbinding site for residue ACT A 402
ChainResidue
ATHR62
AASN63
AHIS64

site_idAC3
Number of Residues1
Detailsbinding site for residue ACT A 403
ChainResidue
ATYR202

site_idAC4
Number of Residues6
Detailsbinding site for residue FMT A 404
ChainResidue
AASN136
ATHR138
ALYS140
ATHR174
AGLN197
AASP200

site_idAC5
Number of Residues5
Detailsbinding site for residue FMT A 405
ChainResidue
AMET253
AHIS256
AHOH549
BGLU155
BASN156

site_idAC6
Number of Residues8
Detailsbinding site for residue FMT A 406
ChainResidue
AGLN277
AGLY278
AHOH506
AHOH508
BTHR62
BASN63
BHIS83
BHOH502

site_idAC7
Number of Residues15
Detailsbinding site for residue 4F4 B 401
ChainResidue
BHIS41
BCYS44
BLEU49
BPHE143
BLEU144
BCYS145
BCYS148
BHIS166
BMET168
BGLU169
BASP190
BLYS191
BMET305
BHOH647
BHOH705

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues4
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
ChainResidueDetails
AHIS41
ACYS148
BHIS41
BCYS148

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000255
ChainResidueDetails
AGLN306
BGLN306

222415

PDB entries from 2024-07-10

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