MolNFT v2 · #175425 · protein
Azoreductase (AzoRo) from Rhodococcus opacus 1CP
7AWV · FMN-dependent NADH-azoreductase: “Azoreductase (AzoRo) from Rhodococcus opacus 1CP”. X-ray diffraction at 2.2, 1 ligand (FMN), 2 pockets (best druggability 0.76). MolNFT v2 #175425 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7AWV
- Type
- protein
- Length
- 415 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Rhodococcus opacus
- Molecule
- FMN-dependent NADH-azoreductase
- EC
- 1.7.1.17
- UniProt
- A0A1B1KJ01
- Ligands
- FMN
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · resolution 2.2 · 2 distinct chains · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | FMN-dependent NADH-azoreductase (EC 1.7.1.17) | protein | 210 | 38% helix, 18% strand | A0A1B1KJ01 |
| B | FMN-dependent NADH-azoreductase (EC 1.7.1.17) | protein | 205 | 38% helix, 17% strand | A0A1B1KJ01 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 6 copies · chains A, B
- IPA · Isopropyl alcohol · additive · chains A
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 | 661 | 0.76 | 0.81 | 51 | FMN, PEG |
| 2 | 618 | 0.73 | 0.80 | 51 | FMN |
Interfaces
1 interface between chains.
- A–B · 1470 Ų buried · 26 hydrogen bonds · protein-protein
Compared structures
- 7AWV · Azoreductase (azoro) from rhodococcus opacus 1CP · 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 A0A1B1KJ01
- Elsewhere: RCSB PDB 7AWV · PDBe 7AWV · UniProt A0A1B1KJ01
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