› 3oig

X-ray diffraction
1.25Å resolution

Crystal Structure of Enoyl-ACP Reductases I (FabI) from B. subtilis (complex with NAD and INH)

Released:
DOI: 10.2210/pdb3oig/pdb
PDB entry 3oig coloured by chain, front view.
PDB entry 3oig coloured by chain, side view.
PDB entry 3oig coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Crystal structures of Enoyl-ACP reductases I (FabI) and III (FabL) from B. subtilis.
Kim KH, Ha BH, Kim SJ, Hong SK, Hwang KY, Kim EE
J Mol Biol 406 403-15 (2011)
PMID: 21185310

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:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157055 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI Chain: A
Molecule details ›
Chain: A
Length: 266 amino acids
Theoretical weight: 28.98 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P54616 (Residues: 1-258; Coverage: 100%)
Gene names: BSU11720, fabI, yjbW
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 1 x NAD
1 bound ligand:
Ligand IMJ 1 x IMJ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: PAL/PLS BEAMLINE 6B
Spacegroup: I222
Unit cell:
a: 69.126Å b: 80.004Å c: 88.077Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.167 0.167 0.185
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

The structural role of the carrier protein--active controller or passive carrier.
Crosby et al. (2012)
4 more

3 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)
2 more