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2A5I

Crystal structures of SARS coronavirus main peptidase inhibited by an aza-peptide epoxide in the space group C2

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues24
DetailsBINDING SITE FOR RESIDUE AZP A 307
ChainResidue
ATHR25
ACYS145
AHIS163
AHIS164
AMET165
AGLU166
APRO168
AHIS172
AASP187
AARG188
AGLN189
AHIS41
ATHR190
AGLN192
AHOH324
AHOH369
AHOH416
AMET49
ATYR54
APHE140
ALEU141
AASN142
AGLY143
ASER144

site_idAC2
Number of Residues6
DetailsBINDING SITE FOR RESIDUE EDO A 308
ChainResidue
AARG4
ALYS5
ALYS5
AGLN127
AGOL309
AGOL309

site_idAC3
Number of Residues11
DetailsBINDING SITE FOR RESIDUE GOL A 309
ChainResidue
ALYS5
ALYS5
AALA7
AVAL125
AVAL125
ATYR126
ATYR126
AGLN127
AGLN127
AEDO308
AEDO308

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsACT_SITE: For 3CL-PRO activity => ECO:0000255|PROSITE-ProRule:PRU00772
ChainResidueDetails
AHIS41
ACYS145

site_idSWS_FT_FI2
Number of Residues1
DetailsSITE: Cleavage; by 3CL-PRO => ECO:0000269|PubMed:14561748
ChainResidueDetails
AGLN306

Catalytic Information from CSA
site_idCSA1
Number of Residues2
DetailsAnnotated By Reference To The Literature 2bx4
ChainResidueDetails
ACYS145
AHIS41

site_idMCSA1
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
AHIS41proton acceptor, proton donor
AGLY143electrostatic stabiliser
ACYS145electrostatic stabiliser

223790

PDB entries from 2024-08-14

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