MolNFT v1 · #104710 · protein
Crystal structure of nitroalkane oxidase from pseudomonas aeruginosa
4QIS · Nitronate monooxygenase family protein: “Crystal structure of nitroalkane oxidase from pseudomonas aeruginosa”. X-ray diffraction, 1 ligand (FMN), 6 pockets (best druggability 0.79). MolNFT v1 #104710 on GenesisL1: 3D structure…
- PDB
- 4QIS
- Type
- protein
- Length
- 695 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitronate monooxygenase family protein
- EC
- 1.7.3.1
- UniProt
- T2E9U5
- Ligands
- FMN
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitronate monooxygenase family protein (EC 1.7.3.1) | protein | 346 | 39% helix, 14% strand | T2E9U5 |
| B | Nitronate monooxygenase family protein (EC 1.7.3.1) | protein | 349 | 39% helix, 13% strand | T2E9U5 |
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
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.79 | 0.89 | 61 | FMN |
| 2 | 438 | 0.77 | 0.85 | 67 | FMN |
| 3 | 299 | 0.51 | 0.73 | 46 | empty |
| 4 | 88 | 0.39 | 0.77 | 18 | empty |
| 5 | 59 | 0.35 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1455 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 4QIS · Crystal structure of Nitroalkane Oxidase from Pseudomonas aeruginosa · 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 T2E9U5
- Elsewhere: RCSB PDB 4QIS · PDBe 4QIS · UniProt T2E9U5
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