Research workbench
Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor
Analyse Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1NHU
- Type
- protein
- Length
- 1,115 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hepatitis C virus NS5B RNA-dependent RNA polymerase
- EC
- 2.7.7.48
- UniProt
- P26663
- Ligands
- 153
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hepatitis C virus NS5B RNA-dependent RNA polymerase (EC 2.7.7.48) | protein | 558 | 49% helix, 15% strand | P26663 |
| B | Hepatitis C virus NS5B RNA-dependent RNA polymerase (EC 2.7.7.48) | protein | 557 | 49% helix, 15% strand | P26663 |
Ligands and binding sites
- 153 · (2S)-2-[(2,4-dichloro-benzoyl)-(3-trifluoromethyl-benzyl)-amino]-3-phenyl-propionic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1130 | 0.80 | 0.81 | 90 | empty |
| 2 | 1090 | 0.80 | 0.81 | 77 | empty |
| 3 | 968 | 0.74 | 0.77 | 53 | empty |
| 4 | 96 | 0.51 | 0.83 | 17 | empty |
| 5 | 110 | 0.49 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 443 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1NHU · Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor · 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 P26663
- Elsewhere: RCSB PDB 1NHU · PDBe 1NHU · UniProt P26663
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