3U4O
Novel HCV NS5B polymerase Inhibitors: Discovery of Indole C2 Acyl sulfonamides
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 | 578 | 64467.9 | 2 | UniProt (O92972) Pfam (PF00998) In PDB | Hepatitis C virus (HCV) | NS5B RNA-dependent RNA polymerase, p68 |
2 | A, B | 1-[(2-aminopyridin-4-yl)methyl]-5-chloro-3-(2-oxo-1,2-dihydropyridin-3-yl)-1H-indole-2-carboxylic acid | non-polymer | 394.8 | 2 | Chemie (08E) | |||
3 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
4 | water | water | 18.0 | 1068 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 570 (UniProt: O92972)
PDB | External Database | Details |
---|---|---|
Gly 440 | Glu 2859 | conflict |
Ile 520 | Thr 2939 | conflict |
Leu 571 | - | expression tag |
Glu 572 | - | expression tag |
His 573 | - | expression tag |
His 574 | - | expression tag |
His 575 | - | expression tag |
His 576 | - | expression tag |
His 577 | - | expression tag |
His 578 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 128935.8 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 884.6 | |
All* | Total formula weight | 129820.4 |