› 1nxy

X-ray diffraction
1.6Å resolution

Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (SM2)

Released:
DOI: 10.2210/pdb1nxy/pdb
PDB entry 1nxy coloured by chain, front view.
PDB entry 1nxy coloured by chain, side view.
PDB entry 1nxy coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Recognition and resistance in TEM beta-lactamase.
Wang X, Minasov G, Blázquez J, Caselli E, Prati F, Shoichet BK
Biochemistry 42 8434-44 (2003)
PMID: 12859188

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: 28.91 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

2 bound ligands:
Ligand K 1 x K
Ligand SM2 2 x SM2
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 5ID-B
Spacegroup: P212121
Unit cell:
a: 73.625Å b: 34.56Å c: 105.36Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.172 0.172 0.196
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Three decades of beta-lactamase inhibitors.
Drawz et al. (2010)
1 more

4 mentions without citation

Targeting class A and C serine β-lactamases with a broad-spectrum boronic acid derivative.
Tondi et al. (2014)
3 more