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X-ray diffraction
2.1Å resolution

Crystal Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD+ and triclosan

Released:
DOI: 10.2210/pdb3nrc/pdb
PDB entry 3nrc coloured by chain, front view.
PDB entry 3nrc coloured by chain, side view.
PDB entry 3nrc coloured by chain, top view.
Source organism: Francisella tularensis subsp. tularensis SCHU S4
Primary publication:
Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD(+) and triclosan.
Mehboob S, Truong K, Santarsiero BD, Johnson ME
Acta Crystallogr Sect F Struct Biol Cryst Commun 66 1436-40 (2010)
PMID: 21045289

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-177695 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADH] Chains: A, B
Molecule details ›
Chains: A, B
Length: 280 amino acids
Theoretical weight: 30.01 KDa
Source organism: Francisella tularensis subsp. tularensis SCHU S4
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q5NGQ3 (Residues: 1-260; Coverage: 100%)
Gene names: FTT_0782, fabI
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
1 bound ligand:
Ligand TCL 2 x TCL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-BM
Spacegroup: P21212
Unit cell:
a: 123.08Å b: 85.12Å c: 51.76Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.186 0.242
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Enoyl acyl carrier protein reductase inhibitors: an updated patent review (2011 - 2015).
Zitko et al. (2016)
2 other articles

5 mentions without citation

Discovery of a novel and potent class of F. tularensis enoyl-reductase (FabI) inhibitors by molecular shape and electrostatic matching.
Hevener et al. (2012)
4 more