3QGG
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide
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 | 574 | 63961.5 | 2 | UniProt (Q9WMX2) Pfam (PF00998) In PDB | Hepatitis C virus subtype 1b | NS5B, p68 |
2 | A, B | (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid | non-polymer | 630.7 | 2 | Chemie (23E) | |||
3 | A, B | N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide | non-polymer | 688.6 | 2 | Chemie (63F) | |||
4 | A, B | SULFATE ION | non-polymer | 96.1 | 6 | Chemie (SO4) |
Sequence modifications
A, B: 1 - 573 (UniProt: Q9WMX2)
PDB | External Database | Details |
---|---|---|
Met 0 | - | initiating methionine |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 2 |
Total formula weight | 127923.0 | |
Non-Polymers* | Number of molecules | 10 |
Total formula weight | 3215.0 | |
All* | Total formula weight | 131138.1 |