› 3hwo

X-ray diffraction
2.3Å resolution

Crystal structure of Escherichia coli enterobactin-specific isochorismate synthase EntC in complex with isochorismate

Released:
DOI: 10.2210/pdb3hwo/pdb
PDB entry 3hwo coloured by chain, front view.
PDB entry 3hwo coloured by chain, side view.
PDB entry 3hwo coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Crystal structure of Escherichia coli enterobactin-specific isochorismate synthase (EntC) bound to its reaction product isochorismate: implications for the enzyme mechanism and differential activity of chorismate-utilizing enzymes.
Sridharan S, Howard N, Kerbarh O, Błaszczyk M, Abell C, Blundell TL
J Mol Biol 397 290-300 (2010)
PMID: 20079748

Function and Biology Details

Reaction catalysed: 
Chorismate = isochorismate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142462 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Isochorismate synthase EntC Chains: A, B
Molecule details ›
Chains: A, B
Length: 394 amino acids
Theoretical weight: 43.26 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AEJ2 (Residues: 1-391; Coverage: 100%)
Gene names: JW0585, b0593, entC
Sequence domains: chorismate binding enzyme
Structure domains: Anthranilate synthase

Ligands and Environments

2 bound ligands:
Ligand MG 4 x MG
Ligand ISC 2 x ISC
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29, SRS BEAMLINE PX10.1
Spacegroup: P212121
Unit cell:
a: 62.469Å b: 104.795Å c: 140.014Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.2 0.256
Expression system: Escherichia coli

Quick links

Citations

3 review citations

Nonribosomal peptide synthetase biosynthetic clusters of ESKAPE pathogens.
Gulick AM. (2017)
2 more

7 mentions without citation

Pericyclic reactions catalyzed by chorismate-utilizing enzymes.
Lamb AL. (2011)
6 more