Research workbench
Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1A complex with N-cyclopropyl-6-[(3R)-3-{[4- (TRIFLUOROMETHOXY)BENZYL]CARBAMOYL}-4-{[4-(trifluoromethoxy) PHENYL]SULFONYL}PIPERAZIN-1-YL]PYRIDAZINE-3-carboxamide
Analyse Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QGH
- Type
- protein
- Length
- 559 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- RNA-directed RNA polymerase
- EC
- 2.7.7.48
- UniProt
- B1PBP5
- Ligands
- 63F, PO4
- Pockets
- 4 · best druggability 0.84
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | RNA-directed RNA polymerase (EC 2.7.7.48) | protein | 559 | 50% helix, 15% strand | B1PBP5 |
Ligands and binding sites
- 63F · N-cyclopropyl-6-[(3R)-3-{[4-(trifluoromethoxy)benzyl]carbamoyl}-4-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazin-1-yl]pyridazine-3-carboxamide · ligand · chains A
- PO4 · Phosphate ion · ion · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1095 | 0.84 | 0.85 | 106 | 63F, PO4 |
| 2 | 58 | 0.45 | 0.83 | 14 | empty |
| 3 | 66 | 0.36 | 0.77 | 16 | empty |
| 4 | 101 | 0.36 | 0.74 | 20 | empty |
Compared structures
- 3QGH · Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase genotype 1a… · the same entry in another collection · chain A against A, TM-score 1.00
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt B1PBP5
- Elsewhere: RCSB PDB 3QGH · PDBe 3QGH · UniProt B1PBP5
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