› 3t88

X-ray diffraction
2Å resolution

Crystal structure of Escherichia coli MenB in complex with substrate analogue, OSB-NCoA

Released:
DOI: 10.2210/pdb3t88/pdb
PDB entry 3t88 coloured by chain, front view.
PDB entry 3t88 coloured by chain, side view.
PDB entry 3t88 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Mechanism of the intramolecular Claisen condensation reaction catalyzed by MenB, a crotonase superfamily member.
Li HJ, Li X, Liu N, Zhang H, Truglio JJ, Mishra S, Kisker C, Garcia-Diaz M, Tonge PJ
Biochemistry 50 9532-44 (2011)
PMID: 21830810

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-142210 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
1,4-dihydroxy-2-naphthoyl-CoA synthase Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 289 amino acids
Theoretical weight: 32.08 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0ABU0 (Residues: 1-285; Coverage: 100%)
Gene names: JW2257, b2262, menB
Sequence domains: Enoyl-CoA hydratase/isomerase
Structure domains:

Ligands and Environments


Cofactor: Ligand S0N 6 x S0N
3 bound ligands:
Ligand CL 6 x CL
Ligand PGE 6 x PGE
Ligand GOL 6 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS BEAMLINE X29A
Spacegroup: P21212
Unit cell:
a: 140.493Å b: 141.791Å c: 89.122Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.157 0.155 0.195
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

The Enzymology of Organic Transformations: A Survey of Name Reactions in Biological Systems.
Lin et al. (2017)
2 more

12 mentions without citation

Mechanism of the intramolecular Claisen condensation reaction catalyzed by MenB, a crotonase superfamily member.
Li et al. (2011)
11 more