8J3S
Complex structure of human cytomegalovirus protease and a macrocyclic peptide ligand
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004252 | molecular_function | serine-type endopeptidase activity |
| A | 0006508 | biological_process | proteolysis |
| B | 0004252 | molecular_function | serine-type endopeptidase activity |
| B | 0006508 | biological_process | proteolysis |
| C | 0004252 | molecular_function | serine-type endopeptidase activity |
| C | 0006508 | biological_process | proteolysis |
| D | 0004252 | molecular_function | serine-type endopeptidase activity |
| D | 0006508 | biological_process | proteolysis |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| 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 | 4 |
| Details | Active site: {"description":"Charge relay system","evidences":[{"source":"HAMAP-Rule","id":"MF_04008","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Site: {"description":"Cleavage; by assemblin; Cryptic site","evidences":[{"source":"PubMed","id":"12163586","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 6 |
| Details | M-CSA 238 |
| Chain | Residue | Details |
| A | HIS63 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| A | SER132 | covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| A | SER134 | hydrogen bond donor, increase acidity, increase basicity |
| A | HIS157 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity |
| A | ARG165 | electrostatic stabiliser, hydrogen bond donor |
| A | ARG166 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA2 |
| Number of Residues | 6 |
| Details | M-CSA 238 |
| Chain | Residue | Details |
| B | HIS63 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| B | SER132 | covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| B | SER134 | hydrogen bond donor, increase acidity, increase basicity |
| B | HIS157 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity |
| B | ARG165 | electrostatic stabiliser, hydrogen bond donor |
| B | ARG166 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA3 |
| Number of Residues | 6 |
| Details | M-CSA 238 |
| Chain | Residue | Details |
| C | HIS63 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| C | SER132 | covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| C | SER134 | hydrogen bond donor, increase acidity, increase basicity |
| C | HIS157 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity |
| C | ARG165 | electrostatic stabiliser, hydrogen bond donor |
| C | ARG166 | electrostatic stabiliser, hydrogen bond donor |
| site_id | MCSA4 |
| Number of Residues | 6 |
| Details | M-CSA 238 |
| Chain | Residue | Details |
| D | HIS63 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
| D | SER132 | covalently attached, hydrogen bond acceptor, hydrogen bond donor, nucleofuge, nucleophile, proton acceptor, proton donor |
| D | SER134 | hydrogen bond donor, increase acidity, increase basicity |
| D | HIS157 | electrostatic stabiliser, hydrogen bond acceptor, increase acidity, increase basicity |
| D | ARG165 | electrostatic stabiliser, hydrogen bond donor |
| D | ARG166 | electrostatic stabiliser, hydrogen bond donor |
