› 1rcj

X-ray diffraction
1.63Å resolution

Crystal structure of E166A mutant of SHV-1 beta-lactamase with the trans-enamine intermediate of tazobactam

Released:
DOI: 10.2210/pdb1rcj/pdb
PDB entry 1rcj coloured by chain, front view.
PDB entry 1rcj coloured by chain, side view.
PDB entry 1rcj coloured by chain, top view.
Source organism: Klebsiella pneumoniae
Primary publication:
Tazobactam forms a stoichiometric trans-enamine intermediate in the E166A variant of SHV-1 beta-lactamase: 1.63 A crystal structure.
Padayatti PS, Helfand MS, Totir MA, Carey MP, Hujer AM, Carey PR, Bonomo RA, van den Akker F
Biochemistry 43 843-8 (2004)
PMID: 14744126

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-142332 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase SHV-1 Chain: A
Molecule details ›
Chain: A
Length: 265 amino acids
Theoretical weight: 28.85 KDa
Source organism: Klebsiella pneumoniae
Expression system: Escherichia coli
UniProt:
  • Canonical: P0AD64 (Residues: 22-286; Coverage: 100%)
Gene names: bla, blaSHV-1, shv1
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand MA4 2 x MA4
Ligand TBI 1 x TBI
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 49.848Å b: 55.193Å c: 83.733Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.147 0.147 0.171
Expression system: Escherichia coli

Quick links

Citations

6 review citations

Understanding the longevity of the beta-lactam antibiotics and of antibiotic/beta-lactamase inhibitor combinations.
Buynak JD. (2006)
5 more

5 mentions without citation

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