MolNFT v1 · #56251 · protein
The crystal structure of azor (azoreductase) from escherichia COLI: oxidized azor in orthorhombic crystals
2Z9D · FMN-dependent NADH-azoreductase: “The crystal structure of azor (azoreductase) from escherichia COLI: oxidized azor in orthorhombic crystals”. X-ray diffraction, 1 ligand (FMN), 2 pockets (best druggability 0.63). MolNFT v1 #56251…
- PDB
- 2Z9D
- Type
- protein
- Length
- 400 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FMN-dependent NADH-azoreductase
- EC
- 1.7.1.6
- UniProt
- P41407
- Ligands
- FMN
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | FMN-dependent NADH-azoreductase (EC 1.7.1.6) | protein | 200 | 45% helix, 22% strand | P41407 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 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 | 301 | 0.63 | 0.80 | 30 | FMN |
| 2 | 298 | 0.63 | 0.79 | 28 | FMN |
Interfaces
1 interface between chains.
- A–B · 1211 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 2Z9D · The crystal structure of AzoR (azoreductase) from Escherichia coli: Oxidized AzoR in… · the same entry in another collection · chain A against A, TM-score 1.00
- P41407 · AlphaFold monomer V2.0 prediction for FMN-dependent NADH:QUINONE oxidoreductase (P41407) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P41407
- Elsewhere: RCSB PDB 2Z9D · PDBe 2Z9D · UniProt P41407
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