› 6bu3

X-ray diffraction
1.15Å resolution

CTX-M-27 Beta-Lactamase in Complex with a Non-Covalent Tetrazole Inhibitor

Released:
DOI: 10.2210/pdb6bu3/pdb
PDB entry 6bu3 coloured by chain, front view.
PDB entry 6bu3 coloured by chain, side view.
PDB entry 6bu3 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Antibacterial Spectrum of a Tetrazole-Based Reversible Inhibitor of Serine β-Lactamases.
Pemberton OA, Zhang X, Nichols DA, DeFrees K, Jaishankar P, Bonnet R, Adams J, Shaw LN, Renslo AR, Chen Y
Antimicrob Agents Chemother 62 (2018)
PMID: 29844038

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-110220 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chains: A, B
Molecule details ›
Chains: A, B
Length: 262 amino acids
Theoretical weight: 27.86 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: B5LY47 (Residues: 17-278; Coverage: 94%)
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand 3GK 4 x 3GK
Ligand SO4 6 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 22-ID
Spacegroup: P21
Unit cell:
a: 44.96Å b: 107.24Å c: 47.79Å
α: 90° β: 101.86° γ: 90°
R-values:
R R work R free
0.142 0.141 0.166
Expression system: Escherichia coli

Quick links

Citations

2 citation in other articles

Heteroaryl Phosphonates as Noncovalent Inhibitors of Both Serine- and Metallocarbapenemases.
Pemberton et al. (2019)
1 more

2 mentions without citation

Bioassay Guided Isolation and Docking Studies of a Potential β-Lactamase Inhibitor from Clutia myricoides.
Elfaky et al. (2020)
1 more