2OC0
Structure of NS3 complexed with a ketoamide inhibitor SCh491762
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 |
C | 0006508 | biological_process | proteolysis |
C | 0008236 | molecular_function | serine-type peptidase activity |
C | 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 901 |
Chain | Residue |
A | CYS97 |
A | CYS99 |
A | CYS145 |
A | HOH1000 |
site_id | AC2 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE ZN C 902 |
Chain | Residue |
C | CYS97 |
C | CYS99 |
C | CYS145 |
C | HOH915 |
site_id | AC3 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE BME A 801 |
Chain | Residue |
A | ILE17 |
A | THR38 |
A | CYS16 |
site_id | AC4 |
Number of Residues | 12 |
Details | BINDING SITE FOR RESIDUE HU1 A 999 |
Chain | Residue |
A | GLN41 |
A | HIS57 |
A | ILE132 |
A | LYS136 |
A | GLY137 |
A | SER138 |
A | SER139 |
A | PHE154 |
A | ARG155 |
A | ALA156 |
A | ALA157 |
A | CYS159 |
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 | HIS57 | |
C | HIS57 |
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 | ASP81 | |
C | ASP81 |
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 | SER139 | |
C | SER139 |
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 | CYS97 | |
A | CYS99 | |
C | CYS97 | |
C | CYS99 |
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 | CYS145 | |
C | CYS145 |
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 | HIS149 | |
C | HIS149 |
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 |
C | ASP81 | |
C | SER139 | |
C | GLY137 | |
C | HIS57 |
site_id | MCSA1 |
Number of Residues | |
Details | M-CSA 776 |
Chain | Residue | Details |
A | HIS57 | proton shuttle (general acid/base) |
A | ASP81 | electrostatic stabiliser |
A | GLY137 | electrostatic stabiliser |
A | SER139 | covalently attached, electrostatic stabiliser |
site_id | MCSA2 |
Number of Residues | |
Details | M-CSA 776 |
Chain | Residue | Details |
C | HIS57 | proton shuttle (general acid/base) |
C | ASP81 | electrostatic stabiliser |
C | GLY137 | electrostatic stabiliser |
C | SER139 | covalently attached, electrostatic stabiliser |