3TYQ
SAR development and discovery of potent indole-based inhibitors of the hepatitis c virus NS5B polymerase
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | RNA-directed RNA polymerase | polymer | 576 | 64191.6 | 2 | UniProt (O92972) Pfam (PF00998) | Hepatitis C virus (HCV) | NS5B, RNA-dependent RNA polymerase |
| 2 | C, F (A, B) | 5-ethyl-1-(2-fluoro-5-nitrobenzyl)-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid | non-polymer | 435.4 | 2 | Chemie (HI4) | |||
| 3 | D, E, G (A, B) | PHOSPHATE ION | non-polymer | 95.0 | 3 | Chemie (PO4) | |||
| 4 | H, I (A, B) | water | water | 18.0 | 1617 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 570 (UniProt: O92972)
| PDB | External Database | Details |
|---|---|---|
| Gly 440 | Glu 2859 | conflict |
| Ile 520 | Thr 2939 | conflict |
| Glu 571 | - | expression tag |
| Asn 572 | - | expression tag |
| Leu 573 | - | expression tag |
| Tyr 574 | - | expression tag |
| Phe 575 | - | expression tag |
| Gln 576 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 128383.2 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 1155.7 | |
| All* | Total formula weight | 129538.9 |
