1DXP
Inhibition of the Hepatitis C Virus NS3/4A Protease. The Crystal Structures of Two Protease-Inhibitor Complexes (apo structure)
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 | symbiont-mediated transformation of host cell |
| B | 0006508 | biological_process | proteolysis |
| B | 0008236 | molecular_function | serine-type peptidase activity |
| B | 0019087 | biological_process | symbiont-mediated transformation of host cell |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 201 |
| Chain | Residue |
| A | CYS97 |
| A | CYS99 |
| A | CYS145 |
| A | HOH2090 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 201 |
| Chain | Residue |
| B | CYS97 |
| B | CYS99 |
| B | CYS145 |
| B | HOH2106 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL B 202 |
| Chain | Residue |
| B | LYS136 |
| B | GLY137 |
| B | SER138 |
| B | SER139 |
| B | SER42 |
| site_id | AC4 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR CHAIN C OF NONSTRUCTURAL PROTEIN NS4A (P4) |
| Chain | Residue |
| A | ILE3 |
| A | THR4 |
| A | ALA5 |
| A | TYR6 |
| A | SER7 |
| A | GLN8 |
| A | GLN9 |
| A | THR10 |
| A | ARG11 |
| A | SER20 |
| A | GLN28 |
| A | ASP30 |
| A | GLY31 |
| A | GLU32 |
| A | VAL33 |
| A | GLN34 |
| A | VAL35 |
| A | LEU36 |
| A | SER37 |
| A | THR38 |
| A | LYS62 |
| A | THR63 |
| A | LEU64 |
| A | ALA65 |
| A | PRO70 |
| A | MET94 |
| A | THR108 |
| A | ARG109 |
| A | LEU144 |
| A | HOH2024 |
| A | HOH2045 |
| C | HOH2006 |
| C | HOH2007 |
| C | HOH2008 |
| C | HOH2009 |
| C | HOH2011 |
| site_id | AC5 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR CHAIN D OF NONSTRUCTURAL PROTEIN NS4A (P4) |
| Chain | Residue |
| B | THR4 |
| B | ALA5 |
| B | TYR6 |
| B | SER7 |
| B | GLN8 |
| B | GLN9 |
| B | THR10 |
| B | CYS16 |
| B | THR19 |
| B | SER20 |
| B | GLN28 |
| B | ASP30 |
| B | GLY31 |
| B | GLU32 |
| B | VAL33 |
| B | GLN34 |
| B | VAL35 |
| B | LEU36 |
| B | SER37 |
| B | LYS62 |
| B | THR63 |
| B | LEU64 |
| B | ALA65 |
| B | PRO70 |
| B | ARG92 |
| B | THR108 |
| B | ARG109 |
| B | HOH2042 |
| B | HOH2071 |
| D | HOH2002 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Charge relay system; for serine protease NS3 activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"8389908","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"8392606","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"9060645","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Charge relay system; for serine protease NS3 activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"8389908","evidenceCode":"ECO:0000305"},{"source":"PubMed","id":"8392606","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Charge relay system; for serine protease NS3 activity","evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU01166","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"9060645","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1rgq |
| Chain | Residue | Details |
| A | ASP81 | |
| A | SER139 | |
| A | GLY137 | |
| A | HIS57 |
| site_id | CSA2 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1rgq |
| Chain | Residue | Details |
| B | ASP81 | |
| B | SER139 | |
| B | GLY137 | |
| B | HIS57 |
