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7L5D

The crystal structure of SARS-CoV-2 Main Protease in complex with demethylated analog of masitinib

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues16
Detailsbinding site for residue XNJ A 401
ChainResidue
ATHR24
ASER144
ACYS145
AHIS163
AHIS164
AMET165
AGLU166
AHOH574
ATHR25
AHIS41
ACYS44
ASER46
AMET49
APHE140
ALEU141
AASN142

site_idAC2
Number of Residues4
Detailsbinding site for residue DMS A 402
ChainResidue
AARG40
AASN84
ACYS85
AGOL406

site_idAC3
Number of Residues4
Detailsbinding site for residue DMS A 403
ChainResidue
ATYR37
ATYR101
APHE103
AGOL408

site_idAC4
Number of Residues7
Detailsbinding site for residue DMS A 404
ChainResidue
AMET6
AALA7
APHE8
ASER123
AGLN127
AARG298
AHOH507

site_idAC5
Number of Residues5
Detailsbinding site for residue DMS A 405
ChainResidue
AGLY15
AMET17
ATRP31
AALA70
AGLY71

site_idAC6
Number of Residues10
Detailsbinding site for residue GOL A 406
ChainResidue
AARG40
APRO52
AASN53
ATYR54
AGLU55
AARG188
ADMS402
AHOH510
AHOH583
AHOH616

site_idAC7
Number of Residues6
Detailsbinding site for residue GOL A 407
ChainResidue
AGLU166
AARG188
AGLN189
ATHR190
AGLN192
AHOH550

site_idAC8
Number of Residues4
Detailsbinding site for residue GOL A 408
ChainResidue
ALYS100
ATYR101
ADMS403
AHOH605

site_idAC9
Number of Residues4
Detailsbinding site for residue GOL A 409
ChainResidue
ALEU57
AARG60
ALYS61
AHOH502

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues1
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000305|PubMed:32198291
ChainResidueDetails
AHIS41

site_idSWS_FT_FI2
Number of Residues1
DetailsACT_SITE: Nucleophile; for 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772, ECO:0000269|PubMed:32198291
ChainResidueDetails
ACYS145

site_idSWS_FT_FI3
Number of Residues1
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000250|UniProtKB:P0C6V3
ChainResidueDetails
AGLN306

226707

PDB entries from 2024-10-30

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