MolNFT v1 · #15868 · protein
Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor
1NHV · Hepatitis C virus NS5B RNA-dependent RNA polymerase: “Hepatitis C virus RNA polymerase in complex with non-nucleoside analogue inhibitor”. X-ray diffraction, 1 ligand (154), 13 pockets (best druggability 0.80). MolNFT v1 #15868 on…
- PDB
- 1NHV
- Type
- protein
- Length
- 1,119 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
- 154
- Pockets
- 13 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 47% 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 | 47% helix, 14% strand | P26663 |
| B | Hepatitis C virus NS5B RNA-dependent RNA polymerase (EC 2.7.7.48) | protein | 561 | 46% helix, 15% strand | P26663 |
Ligands and binding sites
- 154 · (2S)-2-[(5-benzofuran-2-yl-thiophen-2-ylmethyl)-(2,4-dichloro-benzoyl)-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 | 1081 | 0.80 | 0.81 | 80 | empty |
| 2 | 1070 | 0.80 | 0.81 | 82 | empty |
| 3 | 1096 | 0.74 | 0.77 | 69 | empty |
| 4 | 120 | 0.54 | 0.82 | 19 | empty |
| 5 | 91 | 0.49 | 0.82 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 446 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1NHV · 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 1NHV · PDBe 1NHV · UniProt P26663
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.