› 3ojf

X-ray diffraction
2.2Å resolution

Crystal Structure of the Bacillus cereus Enoyl-Acyl Carrier Protein Reductase with NADP+ and indole naphthyridinone (Complex form)

Released:
DOI: 10.2210/pdb3ojf/pdb
PDB entry 3ojf coloured by chain, front view.
PDB entry 3ojf coloured by chain, side view.
PDB entry 3ojf coloured by chain, top view.
Source organism: Bacillus cereus ATCC 14579
Primary publication:
Dimeric and tetrameric forms of enoyl-acyl carrier protein reductase from Bacillus cereus.
Kim SJ, Ha BH, Kim KH, Hong SK, Shin KJ, Suh SW, Kim EE
Biochem Biophys Res Commun 400 517-22 (2010)
PMID: 20800575

Function and Biology Details

Reaction catalysed: 
An acyl-[acyl-carrier protein] + NAD(+) = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-182531 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 257 amino acids
Theoretical weight: 27.89 KDa
Source organism: Bacillus cereus ATCC 14579
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q81GI3 (Residues: 1-256; Coverage: 100%)
Gene names: BC_1216, fabI
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NDP 4 x NDP
1 bound ligand:
Ligand IMJ 4 x IMJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 6B
Spacegroup: P212121
Unit cell:
a: 72.74Å b: 89.257Å c: 185.803Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.183 0.225
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Recent advances in inhibitors of bacterial fatty acid synthesis type II (FASII) system enzymes as potential antibacterial agents.
Wang et al. (2013)
1 more

5 mentions without citation

Structural and enzymatic analyses reveal the binding mode of a novel series of Francisella tularensis enoyl reductase (FabI) inhibitors.
Mehboob et al. (2012)
4 more