Research workbench
Hepatitis C virus polymerase NS5B with ro inhibitor for sar studies
Analyse Hepatitis C virus polymerase NS5B with ro inhibitor for sar studies in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6W4G
- Type
- protein
- Length
- 1,104 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NS5B
- EC
- 2.7.7.48
- UniProt
- P26663
- Ligands
- SL4
- Pockets
- 12 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NS5B (EC 2.7.7.48) | protein | 557 | 50% helix, 15% strand | P26663 |
| B | NS5B (EC 2.7.7.48) | protein | 547 | 48% helix, 15% strand | P26663 |
Ligands and binding sites
- SL4 · 5-[[(2~{S})-4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-~{tert}-butyl-3-oxidanyl-5-oxidanylidene-2~{H}-pyrrol-1-yl]methyl]-2-fluoranyl-benzenecarbonitrile · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 824 | 0.81 | 0.84 | 76 | SL4 |
| 2 | 1036 | 0.80 | 0.82 | 83 | SL4 |
| 3 | 449 | 0.73 | 0.83 | 67 | empty |
| 4 | 249 | 0.68 | 0.84 | 31 | empty |
| 5 | 100 | 0.48 | 0.81 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 725 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6W4G · Hepatitis C virus polymerase NS5B with RO inhibitor for SAR studies · 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 6W4G · PDBe 6W4G · UniProt P26663
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.