2WPO
HCMV protease inhibitor complex
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 PDB Data
| site_id | AC1 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 01E A 257 |
| Chain | Residue |
| A | GLU31 |
| A | CYS161 |
| A | VAL163 |
| A | GLY164 |
| A | ARG165 |
| A | ILE231 |
| A | HIS63 |
| A | SER132 |
| A | LEU133 |
| A | SER134 |
| A | SER135 |
| A | ARG136 |
| A | ARG137 |
| A | LYS156 |
| site_id | AC2 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 01E B 257 |
| Chain | Residue |
| B | GLU31 |
| B | HIS63 |
| B | SER132 |
| B | LEU133 |
| B | SER134 |
| B | SER135 |
| B | ARG136 |
| B | LYS156 |
| B | CYS161 |
| B | VAL163 |
| B | GLY164 |
| B | ARG165 |
| B | ILE231 |
| site_id | AC3 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 01E C 257 |
| Chain | Residue |
| C | GLU31 |
| C | HIS63 |
| C | SER132 |
| C | LEU133 |
| C | SER134 |
| C | SER135 |
| C | ARG136 |
| C | LYS156 |
| C | CYS161 |
| C | GLY164 |
| C | ARG165 |
| C | ILE231 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 01E D 257 |
| Chain | Residue |
| D | GLU31 |
| D | HIS63 |
| D | SER132 |
| D | LEU133 |
| D | SER134 |
| D | SER135 |
| D | ARG136 |
| D | LYS156 |
| D | CYS161 |
| D | VAL163 |
| D | GLY164 |
| D | ARG165 |
| D | ILE231 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | ACT_SITE: Charge relay system => ECO:0000255|HAMAP-Rule:MF_04008 |
| Chain | Residue | Details |
| A | HIS63 | |
| D | HIS63 | |
| D | SER132 | |
| D | HIS157 | |
| A | SER132 | |
| A | HIS157 | |
| B | HIS63 | |
| B | SER132 | |
| B | HIS157 | |
| C | HIS63 | |
| C | SER132 | |
| C | HIS157 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | SITE: Cleavage; by assemblin; Release site => ECO:0000255|HAMAP-Rule:MF_04008 |
| Chain | Residue | Details |
| A | ALA256 | |
| B | ALA256 | |
| C | ALA256 | |
| D | ALA256 |
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 |
