› 3c87

X-ray diffraction
2.17Å resolution

Crystal structure of the enterobactin esterase FES from Shigella flexneri in the presence of enterobactin

Released:
DOI: 10.2210/pdb3c87/pdb
PDB entry 3c87 coloured by chain, front view.
PDB entry 3c87 coloured by chain, side view.
PDB entry 3c87 coloured by chain, top view.
Source organism: Shigella flexneri 2a str. 2457T
Entry authors: Kim Y, Maltseva N, Abergel R, Raymond K, Holzle D, Joachimiak A, Midwest Center for Structural Genomics (MCSG)

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assemblies composition:
monomeric
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-101579 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Enterochelin esterase N-terminal domain-containing protein Chains: A, B
Molecule details ›
Chains: A, B
Length: 403 amino acids
Theoretical weight: 46.3 KDa
Source organism: Shigella flexneri 2a str. 2457T
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H2VTI6 (Residues: 1-400; Coverage: 100%)
Gene names: SF0497, fes
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand NA 1 x NA
Ligand PO4 1 x PO4
1 modified residue:
Ligand MSE 16 x MSE

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 19-ID
Spacegroup: P212121
Unit cell:
a: 47.305Å b: 113.245Å c: 151.123Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.19 0.234
Expression system: Escherichia coli BL21(DE3)

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