3QGD
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-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | RNA-directed RNA polymerase | polymer | 574 | 63961.5 | 2 | UniProt (Q9WMX2) Pfam (PF00998) In PDB | Hepatitis C virus subtype 1b | NS5B, p68 |
| 2 | A, B | (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 | non-polymer | 630.7 | 2 | Chemie (23E) | |||
| 3 | A, B | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) | |||
| 4 | B | (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)piperazine-2-carboxamide | non-polymer | 555.6 | 1 | Chemie (26S) | |||
| 5 | water | water | 18.0 | 97 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 573 (UniProt: Q9WMX2)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 127923.0 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2393.5 | |
| All* | Total formula weight | 130316.5 |
