4bnn

X-ray diffraction
2.25Å resolution

Crystal structure of S. aureus FabI in complex with NADP and 2-(2- cyanophenoxy)-5-hexylphenol

Released:
Entry authors: Schiebel J, Chang A, Bommineni GR, Tonge PJ, Kisker C

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (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 subsp. aureus N315
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: BESSY BEAMLINE 14.1
Spacegroup: P1
Unit cell:
a: 89.92Å b: 94.6Å c: 94.27Å
α: 97.92° β: 111.96° γ: 97.31°
R-values:
R R work R free
0.154 0.151 0.206
Expression system: Escherichia coli BL21(DE3)