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› 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

Released:
DOI: 10.2210/pdb1q51/pdb
Model geometry
Fit model/data
Data not deposited
PDB entry 1q51 coloured by chain, front view.
PDB entry 1q51 coloured by chain, side view.
PDB entry 1q51 coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Crystal structure of Mycobacterium tuberculosis MenB, a key enzyme in vitamin K2 biosynthesis.
Truglio JJ, Theis K, Feng Y, Gajda R, Machutta C, Tonge PJ, Kisker C
J Biol Chem 278 42352-60 (2003)
PMID: 12909628

Function and Biology Details

Reaction catalysed: 
2-succinylbenzoyl-CoA + H(+) = 1,4-dihydroxy-2-naphthoyl-CoA + H2O.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo hexamer (preferred)
Assembly name:
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, 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
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 CAA 12 x CAA
No bound ligands
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
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-values:
R R work R free
0.204 0.202 0.241
Expression system: Escherichia coli

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Citations

7 review citations

Vitamin K2 in electron transport system: are enzymes involved in vitamin K2 biosynthesis promising drug targets?
Kurosu et al. (2010)
6 more

3 mentions without citation

CoA Adducts of 4-Oxo-4-Phenylbut-2-enoates: Inhibitors of MenB from the M. tuberculosis Menaquinone Biosynthesis Pathway.
Li et al. (2011)
2 more