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2GTB

Crystal structure of SARS coronavirus main peptidase (with an additional Ala at the N-terminus of each protomer) inhibited by an aza-peptide epoxide in the space group P43212

Functional Information from GO Data
ChainGOidnamespacecontents
A0008233molecular_functionpeptidase activity
A0019082biological_processviral protein processing
Functional Information from PDB Data
site_idAC1
Number of Residues26
DetailsBINDING SITE FOR RESIDUE AZP A 401
ChainResidue
ATHR25
ACYS145
AHIS163
AHIS164
AMET165
AGLU166
ALEU167
APRO168
AHIS172
AASP187
AARG188
AHIS41
AGLN189
AGLN192
AALA193
ALYS236
ATYR237
AGLN273
AHOH424
AMET49
ATYR54
APHE140
ALEU141
AASN142
AGLY143
ASER144

site_idAC2
Number of Residues9
DetailsBINDING SITE FOR RESIDUE ACY A 402
ChainResidue
ALYS5
AALA7
AALA7
AVAL125
AVAL125
ATYR126
ATYR126
AGLN127
AGLN127

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsActive site: {"description":"For 3CL-PRO activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU00772","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails

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

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PDB entries from 2025-12-17

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