› 2fq1

X-ray diffraction
2.3Å resolution

Crystal structure of the two-domain non-ribosomal peptide synthetase EntB containing isochorismate lyase and aryl-carrier protein domains

Released:
DOI: 10.2210/pdb2fq1/pdb
PDB entry 2fq1 coloured by chain, front view.
PDB entry 2fq1 coloured by chain, side view.
PDB entry 2fq1 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Structure of the EntB multidomain nonribosomal peptide synthetase and functional analysis of its interaction with the EntE adenylation domain.
Drake EJ, Nicolai DA, Gulick AM
Chem Biol 13 409-19 (2006)
PMID: 16632253

Function and Biology Details

Reactions catalysed: 
Isochorismate + H(2)O = (2S,3S)-2,3-dihydroxy-2,3-dihydrobenzoate + pyruvate
6 ATP + 3 2,3-dihydroxybenzoate + 3 L-serine = enterobactin + 6 AMP + 6 diphosphate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-142361 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enterobactin synthase component B Chains: A, B
Molecule details ›
Chains: A, B
Length: 287 amino acids
Theoretical weight: 32.79 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P0ADI4 (Residues: 1-285; Coverage: 100%)
Gene names: JW0587, b0595, entB, entG
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand MG 8 x MG
Ligand CL 2 x CL
Ligand EDO 1 x EDO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P212121
Unit cell:
a: 50.889Å b: 82.331Å c: 164.73Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.186 0.241
Expression system: Escherichia coli BL21(DE3)

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Citations

16 review citations

Siderophore-based iron acquisition and pathogen control.
Miethke et al. (2007)
15 more

9 mentions without citation

Structural advances toward understanding the catalytic activity and conformational dynamics of modular nonribosomal peptide synthetases.
Patel et al. (2023)
8 more