› 4qii

X-ray diffraction
1.64Å resolution

Crystal Structure of type II MenB from Mycobacteria tuberculosis

Released:
DOI: 10.2210/pdb4qii/pdb
PDB entry 4qii coloured by chain, front view.
PDB entry 4qii coloured by chain, side view.
PDB entry 4qii coloured by chain, top view.
Source organism: Mycobacterium tuberculosis H37Rv
Primary publication:
Ligand-dependent active-site closure revealed in the crystal structure of Mycobacterium tuberculosis MenB complexed with product analogues.
Song H, Sung HP, Tse YS, Jiang M, Guo Z
Acta Crystallogr D Biol Crystallogr 70 2959-69 (2014)
PMID: 25372686

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:
Sequence domains:

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: 334 amino acids
Theoretical weight: 36.9 KDa
Source organism: Mycobacterium tuberculosis H37Rv
Expression system: Escherichia coli BL21(DE3)
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 2NE 12 x 2NE
1 bound ligand:
Ligand PGE 4 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P21
Unit cell:
a: 91.47Å b: 147.72Å c: 140.82Å
α: 90° β: 103.45° γ: 90°
R-values:
R R work R free
0.152 0.151 0.181
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 citations in other articles

Crystal structure of the thioesterification conformation of Bacillus subtilis o-succinylbenzoyl-CoA synthetase reveals a distinct substrate-binding mode.
Chen et al. (2017)

2 mentions without citation

Structure-Guided Computational Approaches to Unravel Druggable Proteomic Landscape of Mycobacterium leprae.
Vedithi et al. (2021)
1 more