› 3doy

X-ray diffraction
2.4Å resolution

Crystal structure of (3R)-Hydroxyacyl-Acyl Carrier Protein Dehydratase (FabZ) from Helicobacter pylori in complex with compound 3i

Released:
DOI: 10.2210/pdb3doy/pdb
PDB entry 3doy coloured by chain, front view.
PDB entry 3doy coloured by chain, side view.
PDB entry 3doy coloured by chain, top view.
Source organism: Helicobacter pylori
Primary publication:
Discovering potent inhibitors against the beta-hydroxyacyl-acyl carrier protein dehydratase (FabZ) of Helicobacter pylori: structure-based design, synthesis, bioassay, and crystal structure determination.
He L, Zhang L, Liu X, Li X, Zheng M, Li H, Yu K, Chen K, Shen X, Jiang H, Liu H
J Med Chem 52 2465-81 (2009)
PMID: 19309082

Function and Biology Details

Reaction catalysed: 
A (3R)-3-hydroxyacyl-[acyl-carrier protein] = a trans-2-enoyl-[acyl-carrier protein] + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-177141 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-hydroxyacyl-[acyl-carrier-protein] dehydratase FabZ Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 159 amino acids
Theoretical weight: 18.21 KDa
Source organism: Helicobacter pylori
Expression system: Escherichia coli
UniProt:
  • Canonical: Q5G940 (Residues: 1-159; Coverage: 100%)
Gene names: BB395_03990, DD756_07280, DD767_06730, DDP42_00065, fabZ
Sequence domains: FabA-like domain
Structure domains: Hotdog Thioesterase

Ligands and Environments

3 bound ligands:
Ligand CL 6 x CL
Ligand BEN 6 x BEN
Ligand 2BE 2 x 2BE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 73.975Å b: 100.37Å c: 186.622Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.2 0.2 0.238
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Using modern tools to probe the structure-function relationship of fatty acid synthases.
Finzel et al. (2015)
5 more

1 mention without citation

Active site comparisons and catalytic mechanisms of the hot dog superfamily.
Labonte et al. (2013)