3SKH
I. Novel HCV NS5B Polymerase Inhibitors: Discovery of Indole 2- Carboxylic Acids with C3-Heterocycles
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) | HCV NS5B RNA_DEPENDENT RNA POLYMERASE | polymer | 576 | 64191.6 | 2 | UniProt (O92972) Pfam (PF00998) | Hepatitis C virus isolate HC-J4 (HCV) | RNA-directed RNA polymerase, NS5B |
| 2 | C, D (A, B) | 1-benzyl-5-chloro-3-(2-fluorophenyl)-1H-indole-2-carboxylic acid | non-polymer | 379.8 | 2 | Chemie (058) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 450 | 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 | 2 |
| Total formula weight | 759.6 | |
| All* | Total formula weight | 129142.8 |
