› 1ero

X-ray diffraction
2.1Å resolution

X-RAY CRYSTAL STRUCTURE OF TEM-1 BETA LACTAMASE IN COMPLEX WITH A DESIGNED BORONIC ACID INHIBITOR (1R)-2-PHENYLACETAMIDO-2-(3-CARBOXYPHENYL)ETHYL BORONIC ACID

Released:
DOI: 10.2210/pdb1ero/pdb
PDB entry 1ero coloured by chain, front view.
PDB entry 1ero coloured by chain, side view.
PDB entry 1ero coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Structure-based design guides the improved efficacy of deacylation transition state analogue inhibitors of TEM-1 beta-Lactamase(,).
Ness S, Martin R, Kindler AM, Paetzel M, Gold M, Jensen SE, Jones JB, Strynadka NC
Biochemistry 39 5312-21 (2000)
PMID: 10820001

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: 28.94 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 BJP 1 x BJP
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 61.19Å b: 89.28Å c: 42.1Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.181 not available
Expression system: Escherichia coli

Quick links

Citations

16 review citations

Boronic acid compounds as potential pharmaceutical agents.
Yang et al. (2003)
15 more

9 mentions without citation

Can We Exploit β-Lactamases Intrinsic Dynamics for Designing More Effective Inhibitors?
Gianquinto et al. (2020)
8 more