MolNFT v1 · #144133 · protein
Crystal structure of nitronate monooxygenase from cyberlindnera saturnus
6BKA: “Crystal structure of nitronate monooxygenase from cyberlindnera saturnus”. X-ray diffraction, 2 ligands (FMN, 33O), 2 pockets (best druggability 0.76). MolNFT v1 #144133 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6BKA
- Type
- protein
- Length
- 374 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitronate monooxygenase
- EC
- 1.13.12.16
- UniProt
- Q12723
- Ligands
- FMN, 33O
- Pockets
- 2 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitronate monooxygenase (EC 1.13.12.16) | protein | 374 | 42% helix, 13% strand | Q12723 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · chains A
- 33O · 3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacontane-1,38-diol · ligand · chains A
- GOL · Glycerol · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 535 | 0.76 | 0.84 | 72 | FMN |
| 2 | 101 | 0.45 | 0.79 | 20 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 6BKA · Crystal Structure of Nitronate Monooxygenase from Cyberlindnera saturnus · the same entry in another collection · chain A against A, TM-score 1.00
- Q12723 · AlphaFold monomer V2.0 prediction for nitronate monooxygenase (Q12723) · a predicted model of the same protein · 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 Q12723
- Elsewhere: RCSB PDB 6BKA · PDBe 6BKA · UniProt Q12723
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