› 4bo5

X-ray diffraction
2.6Å resolution

Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with N-(2-chlorophenyl)-4- pyrrol-1-yl-1,3,5-triazin-2-amine at 2.6A resolution

Released:
DOI: 10.2210/pdb4bo5/pdb
PDB entry 4bo5 coloured by chain, front view.
PDB entry 4bo5 coloured by chain, side view.
PDB entry 4bo5 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Discovery of an allosteric inhibitor binding site in 3-Oxo-acyl-ACP reductase from Pseudomonas aeruginosa.
Cukier CD, Hope AG, Elamin AA, Moynie L, Schnell R, Schach S, Kneuper H, Singh M, Naismith JH, Lindqvist Y, Gray DW, Schneider G
OpenAccess logo ACS Chem Biol 8 2518-27 (2013)
PMID: 24015914

Function and Biology Details

Reaction catalysed: 
(3R)-3-hydroxyacyl-[acyl-carrier-protein] + NADP(+) = 3-oxoacyl-[acyl-carrier-protein] + NADPH
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-129496 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-oxoacyl-[acyl-carrier-protein] reductase FabG Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 269 amino acids
Theoretical weight: 28.17 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O54438 (Residues: 1-247; Coverage: 100%)
Gene names: PA2967, fabG
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

2 bound ligands:
Ligand WI4 2 x WI4
Ligand NI 1 x NI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID14-4
Spacegroup: P212121
Unit cell:
a: 54.15Å b: 108.71Å c: 146.34Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.205 0.202 0.248
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Fatty acid biosynthesis revisited: structure elucidation and metabolic engineering.
Beld et al. (2015)
5 more