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 | RNA-directed RNA polymerase | polymer | 576 | 64191.6 | 2 | UniProt (O92972) Pfam (PF00998) In PDB | Hepatitis C virus (HCV) | NS5B, RNA-dependent RNA polymerase |
2 | 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 | A, B | PHOSPHATE ION | non-polymer | 95.0 | 3 | Chemie (PO4) | |||
4 | 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 |