3UPH
Synthesis of novel 4,5-dihydrofurano indoles and their evaluation as HCV NS5B polymerase inhibitors
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 |
| 2 | A | PHOSPHATE ION | non-polymer | 95.0 | 1 | Chemie (PO4) | |||
| 3 | A, B | 6-(2,5-difluorobenzyl)-N-(methylsulfonyl)-8-(2-oxo-1,2-dihydropyridin-3-yl)-3,6-dihydro-2H-furo[2,3-e]indole-7-carboxamide | non-polymer | 499.5 | 2 | Chemie (0C1) | |||
| 4 | water | water | 18.0 | 1012 | 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 | 1093.9 | |
| All* | Total formula weight | 129477.1 |
