Research workbench
Xenobiotic reductase a (xena) from pseudomonas putida in complex with 2-phenylacrylic acid
Analyse Xenobiotic reductase a (xena) from pseudomonas putida in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5N6Q
- Type
- protein
- Length
- 713 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADH:FLAVIN oxidoreductase
- UniProt
- Q9R9V9
- Ligands
- 8OZ, FMN, CL
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | NADH:FLAVIN oxidoreductase | protein | 356 | 41% helix, 17% strand | Q9R9V9 |
| B | NADH:FLAVIN oxidoreductase | protein | 357 | 41% helix, 16% strand | Q9R9V9 |
Ligands and binding sites
- 8OZ · 2-Phenylacrylic acid · ligand · 2 copies · chains A, B
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 6 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 670 | 0.76 | 0.81 | 53 | FMN, 8OZ |
| 2 | 678 | 0.75 | 0.81 | 58 | 8OZ, GOL, FMN |
| 3 | 50 | 0.53 | 0.89 | 17 | CL |
| 4 | 124 | 0.39 | 0.74 | 22 | CL |
Interfaces
1 interface between chains.
- A–B · 1351 Ų buried · 14 hydrogen bonds · protein-protein
Compared structures
- 5N6Q · Xenobiotic reductase A (XenA) from Pseudomonas putida in complex with 2-phenylacrylic acid · the same entry in another collection · chain B against B, 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 Q9R9V9
- Elsewhere: RCSB PDB 5N6Q · PDBe 5N6Q · UniProt Q9R9V9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.