3t8b

X-ray diffraction
1.65Å resolution

Crystal structure of Mycobacterium tuberculosis MenB with altered hexameric assembly

Released:

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1,4-dihydroxy-2-naphthoyl-CoA synthase Chains: A, B
Molecule details ›
Chains: A, B
Length: 334 amino acids
Theoretical weight: 36.9 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: 2-enoyl-CoA Hydratase; Chain A, domain 1

Ligands and Environments

1 bound ligand:
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: R3
Unit cell:
a: 132.233Å b: 132.233Å c: 71.139Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.143 0.141 0.187
Expression system: Escherichia coli