4NLD
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | RNA-directed RNA polymerase | polymer | 574 | 63961.5 | 1 | UniProt (Q9WMX2) Pfam (PF00998) | Hepatitis C virus (HCV) | NS5B, p68 |
| 2 | B (A) | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide | non-polymer | 659.8 | 1 | Chemie (2N7) | |||
| 3 | C (A) | 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | non-polymer | 420.5 | 1 | Chemie (2N5) | |||
| 4 | D, E, F, G (A) | SULFATE ION | non-polymer | 96.1 | 4 | Chemie (SO4) | |||
| 5 | H, I (A) | octyl beta-D-glucopyranoside | non-polymer | 292.4 | 2 | Chemie (BOG) | |||
| 6 | J (A) | water | water | 18.0 | 31 | Chemie (HOH) |
Sequence modifications
A: 1 - 573 (UniProt: Q9WMX2)
| PDB | External Database | Details |
|---|---|---|
| Met 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 63961.5 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2049.3 | |
| All* | Total formula weight | 66010.8 |
