1RGQ
M9A HCV Protease complex with pentapeptide keto-amide inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0006508 | biological_process | proteolysis |
| A | 0008236 | molecular_function | serine-type peptidase activity |
| A | 0019087 | biological_process | transformation of host cell by virus |
| B | 0006508 | biological_process | proteolysis |
| B | 0008236 | molecular_function | serine-type peptidase activity |
| B | 0019087 | biological_process | transformation of host cell by virus |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 193 |
| Chain | Residue |
| A | CYS100 |
| A | THR101 |
| A | CYS102 |
| A | CYS148 |
| site_id | AC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE ZN B 193 |
| Chain | Residue |
| B | CYS100 |
| B | CYS102 |
| B | CYS148 |
| site_id | AC3 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE AKP B 194 |
| Chain | Residue |
| B | HIS60 |
| B | ILE135 |
| B | LEU138 |
| B | LYS139 |
| B | GLY140 |
| B | SER141 |
| B | SER142 |
| B | ARG158 |
| B | ALA159 |
| B | ALA160 |
| B | VAL161 |
| B | CYS162 |
| B | GLN44 |
| B | THR45 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:8386278, ECO:0000305|PubMed:8861917 |
| Chain | Residue | Details |
| A | GLY61 | |
| B | GLY61 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | ACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000305|PubMed:8861917 |
| Chain | Residue | Details |
| A | LEU85 | |
| B | LEU85 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | ACT_SITE: Charge relay system; for serine protease NS3 activity => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:8248148, ECO:0000269|PubMed:8386278, ECO:0000305|PubMed:8861917 |
| Chain | Residue | Details |
| A | GLY143 | |
| B | GLY143 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982, ECO:0007744|PDB:1A1R, ECO:0007744|PDB:1N1L, ECO:0007744|PDB:1RGQ, ECO:0007744|PDB:2A4R, ECO:0007744|PDB:2F9V, ECO:0007744|PDB:2O8M, ECO:0007744|PDB:2OBQ, ECO:0007744|PDB:2OC0, ECO:0007744|PDB:2OC1, ECO:0007744|PDB:2OC7, ECO:0007744|PDB:2OC8, ECO:0007744|PDB:2OIN, ECO:0007744|PDB:2XNI |
| Chain | Residue | Details |
| A | THR101 | |
| A | GLY103 | |
| B | THR101 | |
| B | GLY103 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982, ECO:0007744|PDB:1N1L, ECO:0007744|PDB:1RGQ, ECO:0007744|PDB:2A4R, ECO:0007744|PDB:2F9V, ECO:0007744|PDB:2O8M, ECO:0007744|PDB:2OBQ, ECO:0007744|PDB:2OC0, ECO:0007744|PDB:2OC1, ECO:0007744|PDB:2OC7, ECO:0007744|PDB:2OC8, ECO:0007744|PDB:2OIN, ECO:0007744|PDB:2XNI |
| Chain | Residue | Details |
| A | PRO149 | |
| B | PRO149 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU01166, ECO:0000269|PubMed:21507982 |
| Chain | Residue | Details |
| A | ALA153 | |
| B | ALA153 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | SITE: Cleavage; by protease NS2 => ECO:0000255|PROSITE-ProRule:PRU01030 |
| Chain | Residue | Details |
| A | ALA4 | |
| B | ALA4 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 776 |
| Chain | Residue | Details |
| A | GLY61 | proton shuttle (general acid/base) |
| A | LEU85 | electrostatic stabiliser |
| A | SER141 | electrostatic stabiliser |
| A | GLY143 | covalently attached, electrostatic stabiliser |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 776 |
| Chain | Residue | Details |
| B | GLY61 | proton shuttle (general acid/base) |
| B | LEU85 | electrostatic stabiliser |
| B | SER141 | electrostatic stabiliser |
| B | GLY143 | covalently attached, electrostatic stabiliser |
