Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

3TIU

Crystal structure of SARS coronavirus main protease complexed with an alpha,beta-unsaturated ethyl ester inhibitor SG82

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 DMS A 2309
ChainResidue
AARG105
AHIS134
APHE181
ATYR182
AGLY183
AHOH390
AHOH628

site_idAC2
Number of Residues19
DetailsBINDING SITE FOR RESIDUE G82 A 501
ChainResidue
ATYR54
APHE140
AASN142
AGLY143
ASER144
ACYS145
AHIS163
AHIS164
AMET165
AGLU166
APRO168
AHIS172
AASP187
AARG188
AGLN189
ATHR190
AGLN192
ATHR26
AHIS41

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_idMCSA1
Number of Residues3
DetailsM-CSA 830
ChainResidueDetails
AHIS41proton acceptor, proton donor
AGLY143electrostatic stabiliser
ACYS145electrostatic stabiliser

226707

PDB entries from 2024-10-30

PDB statisticsPDBj update infoContact PDBjnumon