PDBe 1q51

X-ray diffraction
2.3Å resolution

Crystal Structure of Mycobacterium tuberculosis MenB in Complex with Acetoacetyl-Coenzyme A, a Key Enzyme in Vitamin K2 Biosynthesis


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)
Entry contents:
1 distinct polypeptide molecule
1,4-dihydroxy-2-naphthoyl-CoA synthase Chains: A, B, C, D, E, F, G, H, I, J, K, L
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J, K, L
Length: 314 amino acids
Theoretical weight: 34.73 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli
  • Canonical: P9WNP5 (Residues: 1-314; Coverage: 100%)
Gene names: Rv0548c, menB
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains:

Ligands and Environments

1 bound ligand:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X26C
Spacegroup: P21
Unit cell:
a: 90.401Å b: 139.389Å c: 142.041Å
α: 90° β: 97.31° γ: 90°
R R work R free
0.204 0.202 0.241
Expression system: Escherichia coli