3QGF
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(6-chloropyridazin-3-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003723 | molecular_function | RNA binding |
| A | 0003968 | molecular_function | RNA-directed RNA polymerase activity |
| A | 0039694 | biological_process | viral RNA genome replication |
| B | 0003723 | molecular_function | RNA binding |
| B | 0003968 | molecular_function | RNA-directed RNA polymerase activity |
| B | 0039694 | biological_process | viral RNA genome replication |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE 23E A 601 |
| Chain | Residue |
| A | ALA395 |
| A | ARG498 |
| A | ARG503 |
| A | HOH731 |
| A | HOH738 |
| B | 23E601 |
| B | HOH718 |
| B | HOH721 |
| A | ALA396 |
| A | ILE424 |
| A | HIS428 |
| A | LEU492 |
| A | GLY493 |
| A | VAL494 |
| A | PRO495 |
| A | PRO496 |
| site_id | AC2 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE 46F A 602 |
| Chain | Residue |
| A | TYR191 |
| A | GLY192 |
| A | PHE193 |
| A | TYR195 |
| A | SER196 |
| A | PRO197 |
| A | SER368 |
| A | MET414 |
| A | ILE447 |
| A | TYR448 |
| A | TYR452 |
| A | ILE454 |
| A | ILE462 |
| A | LEU466 |
| A | LEU547 |
| A | TRP550 |
| A | TYR555 |
| A | SER556 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 651 |
| Chain | Residue |
| A | SER84 |
| A | VAL85 |
| A | GLU86 |
| A | ARG120 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 652 |
| Chain | Residue |
| A | ARG48 |
| A | LYS51 |
| A | CYS223 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 653 |
| Chain | Residue |
| A | HIS374 |
| A | ARG380 |
| A | LEU457 |
| A | GLY516 |
| A | ARG517 |
| A | HOH769 |
| A | HOH779 |
| A | HOH819 |
| site_id | AC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 654 |
| Chain | Residue |
| A | PRO496 |
| A | LEU497 |
| A | ARG498 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 659 |
| Chain | Residue |
| A | THR329 |
| A | ARG505 |
| A | VAL530 |
| A | ARG531 |
| A | THR532 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 660 |
| Chain | Residue |
| A | ARG501 |
| A | HIS502 |
| A | ARG505 |
| A | ARG531 |
| site_id | AC9 |
| Number of Residues | 16 |
| Details | BINDING SITE FOR RESIDUE 23E B 601 |
| Chain | Residue |
| A | ALA400 |
| A | 23E601 |
| B | LEU392 |
| B | ALA393 |
| B | ILE424 |
| B | HIS428 |
| B | GLY493 |
| B | VAL494 |
| B | PRO495 |
| B | PRO496 |
| B | ARG498 |
| B | VAL499 |
| B | TRP500 |
| B | ARG503 |
| B | HOH718 |
| B | HOH721 |
| site_id | BC1 |
| Number of Residues | 15 |
| Details | BINDING SITE FOR RESIDUE 46F B 602 |
| Chain | Residue |
| B | GLY192 |
| B | PHE193 |
| B | TYR195 |
| B | SER196 |
| B | PRO197 |
| B | SER368 |
| B | MET414 |
| B | ILE447 |
| B | TYR448 |
| B | TYR452 |
| B | ILE454 |
| B | ILE462 |
| B | LEU466 |
| B | LEU547 |
| B | TRP550 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 651 |
| Chain | Residue |
| B | VAL85 |
| B | GLU86 |
| B | ARG120 |
| site_id | BC3 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE SO4 B 653 |
| site_id | BC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 B 657 |
| Chain | Residue |
| B | HIS475 |
| B | SER476 |
| B | HOH800 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 652 |
| Chain | Residue |
| B | ARG48 |
| B | LYS51 |
| B | ARG222 |
| B | CYS223 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 236 |
| Details | Domain: {"description":"RdRp catalytic","evidences":[{"source":"PROSITE-ProRule","id":"PRU00539","evidenceCode":"ECO:0000255"}]} |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"P26663","evidenceCode":"ECO:0000250"}]} |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Phosphoserine; by host","evidences":[{"source":"UniProtKB","id":"P26662","evidenceCode":"ECO:0000250"}]} |
