› 5vle

X-ray diffraction
0.85Å resolution

Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with CTX-M-14 E166A Beta-Lactamase

Released:
DOI: 10.2210/pdb5vle/pdb
PDB entry 5vle coloured by chain, front view.
PDB entry 5vle coloured by chain, side view.
PDB entry 5vle coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Mechanisms of proton relay and product release by Class A β-lactamase at ultrahigh resolution.
Lewandowski EM, Lethbridge KG, Sanishvili R, Skiba J, Kowalski K, Chen Y
FEBS J 285 87-100 (2018)
PMID: 29095570

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 analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-124843 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 263 amino acids
Theoretical weight: 27.93 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: H6UQI0 (Residues: 22-284; Coverage: 100%)
Gene name: CTX-M-14
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

6 bound ligands:
Ligand JSD 3 x JSD
Ligand JSC 1 x JSC
Ligand JSE 2 x JSE
Ligand K 2 x K
Ligand RU 1 x RU
Ligand PO4 1 x PO4
1 modified residue:
Ligand PCA 2 x PCA

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-B
Spacegroup: P21
Unit cell:
a: 44.745Å b: 106.418Å c: 47.611Å
α: 90° β: 102.38° γ: 90°
R-values:
R R work R free
0.109 not available not available
Expression system: Escherichia coli

Quick links

Citations

7 citation in other articles

Structural Basis and Binding Kinetics of Vaborbactam in Class A β-Lactamase Inhibition.
Pemberton et al. (2020)
6 more

2 mentions without citation

Mechanisms of proton relay and product release by Class A β-lactamase at ultrahigh resolution.
Lewandowski et al. (2018)
1 more