› 4e6x

X-ray diffraction
2.24Å resolution

ClbP in complex boron-based inhibitor

Released:
DOI: 10.2210/pdb4e6x/pdb
PDB entry 4e6x coloured by chain, front view.
PDB entry 4e6x coloured by chain, side view.
PDB entry 4e6x coloured by chain, top view.
Source organism: Escherichia coli O6
Entry authors: Cougnoux A, Delmas J, Bonnet R

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-101544 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 336 amino acids
Theoretical weight: 36.87 KDa
Source organism: Escherichia coli O6
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A0H2V8D3 (Residues: 41-376; Coverage: 71%)
Gene name: c2452
Sequence domains: Beta-lactamase
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand PO4 3 x PO4
Ligand 0NG 2 x 0NG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: C2
Unit cell:
a: 105.05Å b: 152.53Å c: 86.89Å
α: 90° β: 123.43° γ: 90°
R-values:
R R work R free
0.203 0.2 0.249
Expression system: Escherichia coli BL21(DE3)

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