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5RHC

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Cov_HetLib053 (Mpro-x2119)

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues7
Detailsbinding site for residue USA A 1001
ChainResidue
AASN142
AGLY143
ASER144
ACYS145
ADMS1005
AHOH1150
AHOH1220

site_idAC2
Number of Residues8
Detailsbinding site for residue DMS A 1002
ChainResidue
AARG76
APHE223
ATHR224
AASP263
AHOH1198
AHOH1246
AGLN74
ALEU75

site_idAC3
Number of Residues5
Detailsbinding site for residue DMS A 1003
ChainResidue
AMET6
APHE8
ASER123
AGLN127
AARG298

site_idAC4
Number of Residues3
Detailsbinding site for residue DMS A 1004
ChainResidue
AGLY15
AMET17
ALYS97

site_idAC5
Number of Residues6
Detailsbinding site for residue DMS A 1005
ChainResidue
APHE140
ALEU141
AHIS163
AGLU166
AHIS172
AUSA1001

site_idAC6
Number of Residues5
Detailsbinding site for residue DMS A 1006
ChainResidue
AASP56
AILE59
ATHR196
ATHR198
AGLU240

site_idAC7
Number of Residues3
Detailsbinding site for residue DMS A 1007
ChainResidue
AHIS64
AASN65
APHE223

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

219869

PDB entries from 2024-05-15

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