Research workbench
Structure of the human quinone reductase 2 (NQO2) in complex with volitinib
Analyse Structure of the human quinone reductase 2 (NQO2) in complex with volitinib in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5LBW
- Type
- protein
- Length
- 455 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Ribosyldihydronicotinamide dehydrogenase [quinone]
- EC
- 1.10.5.1
- UniProt
- P16083
- Ligands
- FAD, V0L, ZN
- Pockets
- 2 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) | protein | 227 | 40% helix, 16% strand | P16083 |
| B | Ribosyldihydronicotinamide dehydrogenase [quinone] (EC 1.10.5.1) | protein | 228 | 40% helix, 16% strand | P16083 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- V0L · volitinib · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 566 | 0.77 | 0.83 | 42 | V0L, FAD |
| 2 | 530 | 0.77 | 0.84 | 47 | FAD, V0L |
Interfaces
1 interface between chains.
- A–B · 2041 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 5LBW · Structure of the human qui reductase 2 (NQO2) in complex with volitinib · 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 P16083
- Elsewhere: RCSB PDB 5LBW · PDBe 5LBW · UniProt P16083
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