MolNFT v1 · #59374 · protein

Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from streptomyces ansochromogenes

3BW4 · 2-nitropropane dioxygenase: “Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from streptomyces…”. X-ray diffraction, 1 ligand (FMN), 3 pockets (best druggability 0.80). MolNFT v1 #59374 on GenesisL1: 3D…

PDB: 3BW4
Type: protein
Length: 347 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: 2-nitropropane dioxygenase
EC: 1.7.3.1
UniProt: Q9FDD4
Ligands: FMN
Pockets: 3 · best druggability 0.80

Structure

x-ray diffraction · 1 distinct chain · 43% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	2-nitropropane dioxygenase (EC 1.7.3.1)	protein	347	43% helix, 14% strand	Q9FDD4

Ligands and binding sites

FMN · Flavin mononucleotide · ligand · chains A
MPD · (4S)-2-methyl-2,4-pentanediol · additive · 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	389	0.80	0.89	53	FMN
2	89	0.43	0.79	21	empty
3	77	0.35	0.76	20	empty

Compared structures

3BW4 · Crystal structures and site-directed mutagenesis study of nitroalkane oxidase from… · 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 Q9FDD4
Elsewhere: RCSB PDB 3BW4 · PDBe 3BW4 · UniProt Q9FDD4

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