4alj

X-ray diffraction
2.2Å resolution

Crystal structure of S. aureus FabI in complex with NADP and 5-chloro- 2-phenoxyphenol

Released:

Function and Biology Details

Reaction catalysed:
An acyl-[acyl-carrier protein] + NADP(+) = a trans-2,3-dehydroacyl-[acyl-carrier protein] + NADPH
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
PDBe Complex ID:
PDB-CPX-101907 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enoyl-[acyl-carrier-protein] reductase [NADPH] Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 282 amino acids
Theoretical weight: 31.14 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H3JLH9 (Residues: 1-256; Coverage: 100%)
Gene name: fabI
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAP 8 x NAP
2 bound ligands:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P1
Unit cell:
a: 90.24Å b: 94.756Å c: 94.803Å
α: 97.95° β: 112.35° γ: 97.36°
R-values:
R R work R free
0.161 0.158 0.219
Expression system: Escherichia coli BL21(DE3)