1JQ7
HCMV protease dimer-interface mutant, S225Y complexed to Inhibitor BILC 408
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 0FP A 261 |
| Chain | Residue |
| A | GLU1031 |
| A | GLY1164 |
| A | ARG1165 |
| A | ARG1166 |
| A | ILE1231 |
| A | ASN1062 |
| A | HIS1063 |
| A | SER1132 |
| A | LEU1133 |
| A | SER1134 |
| A | SER1135 |
| A | CYS1161 |
| A | VAL1163 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 0FP B 561 |
| Chain | Residue |
| B | GLU1331 |
| B | ASN1362 |
| B | HIS1363 |
| B | SER1432 |
| B | LEU1433 |
| B | SER1434 |
| B | SER1435 |
| B | ARG1436 |
| B | LYS1456 |
| B | VAL1463 |
| B | GLY1464 |
| B | ARG1465 |
| B | ILE1531 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Charge relay system","evidences":[{"source":"HAMAP-Rule","id":"MF_04008","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"8805706","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Charge relay system","evidences":[{"source":"HAMAP-Rule","id":"MF_04008","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1nkk |
| Chain | Residue | Details |
| A | HIS1157 | |
| A | SER1132 | |
| A | ARG1165 | |
| A | HIS1063 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1nkk |
| Chain | Residue | Details |
| B | HIS1457 | |
| B | ARG1465 | |
| B | HIS1363 | |
| B | SER1432 |
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 238 |
| Chain | Residue | Details |
| A | HIS1063 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | SER1132 | covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | SER1134 | hydrogen bond donor, increase acidity, increase basicity |
| A | HIS1157 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity |
| A | ARG1165 | electrostatic stabiliser, hydrogen bond donor |
| A | ARG1166 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 6 |
| Details | M-CSA 238 |
| Chain | Residue | Details |
| B | HIS1363 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | SER1432 | covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| B | SER1434 | hydrogen bond donor, increase acidity, increase basicity |
| B | HIS1457 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity |
| B | ARG1465 | electrostatic stabiliser, hydrogen bond donor |
| B | ARG1466 | electrostatic stabiliser, hydrogen bond donor |
