MolNFT v1 · #64004 · protein
Crystal structure of a novel dimeric form of HCV NS5A domain I protein
3FQQ · Non-structural protein 5A: “Crystal structure of a novel dimeric form of HCV NS5A domain I protein”. X-ray diffraction, 2 ligands (0BD, ZN), 2 pockets (best druggability 0.81). MolNFT v1 #64004 on GenesisL1: 3D structure, binding…
- PDB
- 3FQQ
- Type
- protein
- Length
- 319 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Non-structural protein 5A
- UniProt
- Q9WMX2
- Ligands
- 0BD, ZN
- Pockets
- 2 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 5% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Non-structural protein 5A | protein | 160 | 5% helix, 41% strand | Q9WMX2 |
| B | Non-structural protein 5A | protein | 159 | 5% helix, 37% strand | Q9WMX2 |
Ligands and binding sites
- 0BD · 3-methyl-1-(2-methylpropyl)butyl 4-O-beta-L-gulopyranosyl-beta-D-glucopyranoside · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 560 | 0.81 | 0.86 | 59 | GOL |
| 2 | 56 | 0.27 | 0.74 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 935 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 3FQQ · Crystal structure of a novel dimeric form of HCV NS5A domain I protein · 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 Q9WMX2
- Elsewhere: RCSB PDB 3FQQ · PDBe 3FQQ · UniProt Q9WMX2
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