1rjn

X-ray diffraction
2.3Å resolution

The Crystal Structure of MenB (Rv0548c) from Mycobacterium tuberculosis in Complex with the CoA Portion of Naphthoyl CoA

Released:
Source organism: Mycobacterium tuberculosis
Primary publication:
Structure of naphthoate synthase (MenB) from Mycobacterium tuberculosis in both native and product-bound forms.
Acta Crystallogr D Biol Crystallogr 61 1199-206 (2005)
PMID: 16131752

Function and Biology Details

Reaction catalysed:
4-(2-carboxyphenyl)-4-oxobutanoyl-CoA = 1,4-dihydroxy-2-naphthoyl-CoA + H(2)O
Biochemical function:
Biological process:
Cellular component:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
PDBe Complex ID:
PDB-CPX-161875 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1,4-dihydroxy-2-naphthoyl-CoA synthase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 339 amino acids
Theoretical weight: 37.83 KDa
Source organism: Mycobacterium tuberculosis
Expression system: Escherichia coli
UniProt:
  • Canonical: P9WNP5 (Residues: 1-314; Coverage: 100%)
Gene names: Rv0548c, menB
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains:

Ligands and Environments


Cofactor: Ligand COA 1 x COA
1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: C2
Unit cell:
a: 112.105Å b: 114.824Å c: 87.972Å
α: 90° β: 123.36° γ: 90°
R-values:
R R work R free
0.197 0.197 0.225
Expression system: Escherichia coli