› 1mka

X-ray diffraction
2Å resolution

E. COLI BETA-HYDROXYDECANOYL THIOL ESTER DEHYDRASE MODIFIED BY ITS CLASSIC MECHANISM-BASED INACTIVATOR, 3-DECYNOYL-N-ACETYL CYSTEAMINE

Released:
DOI: 10.2210/pdb1mka/pdb
PDB entry 1mka coloured by chain, front view.
PDB entry 1mka coloured by chain, side view.
PDB entry 1mka coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Structure of a dehydratase-isomerase from the bacterial pathway for biosynthesis of unsaturated fatty acids: two catalytic activities in one active site.
Leesong M, Henderson BS, Gillig JR, Schwab JM, Smith JL
Structure 4 253-64 (1996)
PMID: 8805534

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141415 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase Chains: A, B
Molecule details ›
Chains: A, B
Length: 171 amino acids
Theoretical weight: 18.86 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A6Q3 (Residues: 2-172; Coverage: 99%)
Gene names: JW0937, b0954, fabA
Sequence domains: FabA-like domain
Structure domains: Hotdog Thioesterase

Ligands and Environments

1 bound ligand:
Ligand DAC 2 x DAC
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P212121
Unit cell:
a: 68Å b: 86.8Å c: 60.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.163 0.214
Expression system: Escherichia coli

Quick links

Citations

34 review citations

The structural biology of type II fatty acid biosynthesis.
White et al. (2005)
33 more

20 mentions without citation

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