Research workbench
X-ray crystal structure of NS3 helicase from HCV with a bound inhibitor at 2.42 a resolution
Analyse X-ray crystal structure of NS3 helicase from HCV with a bound inhibitor at 2.42… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4WXR
- Type
- protein
- Length
- 865 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NS3
- UniProt
- A1Z092
- Ligands
- 3VZ
- Pockets
- 10 · best druggability 0.84
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NS3 | protein | 427 | 33% helix, 22% strand | A1Z092 |
| B | NS3 | protein | 438 | 33% helix, 21% strand | A1Z092 |
Ligands and binding sites
- 3VZ · {6-(3,5-diaminophenyl)-1-[4-(propan-2-yl)benzyl]-1H-indol-3-yl}acetic acid · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 905 | 0.84 | 0.86 | 104 | empty |
| 2 | 155 | 0.67 | 0.88 | 37 | empty |
| 3 | 179 | 0.45 | 0.75 | 29 | empty |
| 4 | 151 | 0.44 | 0.76 | 20 | empty |
| 5 | 62 | 0.39 | 0.80 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1015 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 4WXR · X-ray crystal structure of NS3 Helicase from HCV with a bound inhibitor at 2.42 A… · 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 A1Z092
- Elsewhere: RCSB PDB 4WXR · PDBe 4WXR · UniProt A1Z092
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.