3SKA
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 | HCV NS5B RNA_DEPENDENT RNA POLYMERASE | polymer | 576 | 64191.6 | 2 | UniProt (O92972) Pfam (PF00998) In PDB | Hepatitis C virus isolate HC-J4 (HCV) | RNA-directed RNA polymerase |
2 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
3 | A, B | 1-[(2-aminopyridin-4-yl)methyl]-3-(2-oxo-1,2-dihydropyridin-3-yl)-5-(trifluoromethyl)-1H-indole-2-carboxylic acid | non-polymer | 428.4 | 2 | Chemie (053) | |||
4 | water | water | 18.0 | 1056 | 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 | 3 |
Total formula weight | 951.7 | |
All* | Total formula weight | 129334.9 |