MolNFT v1 · #38011 · protein

Crystal structure of 2-nitropropane dioxygenase

2GJL · Hypothetical protein PA1024: “Crystal structure of 2-nitropropane dioxygenase”. X-ray diffraction, 1 ligand (FMN), 3 pockets (best druggability 0.78). MolNFT v1 #38011 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2GJL
Type: protein
Length: 324 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Hypothetical protein PA1024
EC: 1.13.11.32
UniProt: Q9I4V0
Ligands: FMN
Pockets: 3 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Hypothetical protein PA1024 (EC 1.13.11.32)	protein	324	46% helix, 15% strand	Q9I4V0

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	853	0.78	0.81	80	FMN
2	65	0.34	0.76	20	empty
3	69	0.31	0.74	18	empty

Compared structures

2GJL · Crystal Structure of 2-nitropropane dioxygenase · the same entry in another collection · chain A against A, TM-score 1.00
Q9I4V0 · AlphaFold monomer V2.0 prediction for NADH:QUINONE reductase (Q9I4V0) · a predicted model of the same protein · chain A 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 Q9I4V0
Elsewhere: RCSB PDB 2GJL · PDBe 2GJL · UniProt Q9I4V0

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