› 1pzp

X-ray diffraction
1.45Å resolution

TEM-1 Beta-Lactamase in Complex with a Novel, Core-Disrupting, Allosteric Inhibitor

Released:
DOI: 10.2210/pdb1pzp/pdb
PDB entry 1pzp coloured by chain, front view.
PDB entry 1pzp coloured by chain, side view.
PDB entry 1pzp coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Allosteric inhibition through core disruption.
Horn JR, Shoichet BK
J Mol Biol 336 1283-91 (2004)
PMID: 15037085

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-158652 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase TEM Chain: A
Molecule details ›
Chain: A
Length: 263 amino acids
Theoretical weight: 28.99 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: P62593 (Residues: 24-286; Coverage: 100%)
Gene names: bla, blaT-3, blaT-4, blaT-5, blaT-6
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

1 bound ligand:
Ligand FTA 2 x FTA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 5ID-B
Spacegroup: P212121
Unit cell:
a: 41.553Å b: 60.673Å c: 89.092Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.201 0.245
Expression system: Escherichia coli

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Citations

11 review citations

Virtual screening of chemical libraries.
Shoichet BK. (2004)
10 more

6 mentions without citation

Dynamical nonequilibrium molecular dynamics reveals the structural basis for allostery and signal propagation in biomolecular systems.
Oliveira et al. (2021)
5 more