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› 5g18

X-ray diffraction
1.1Å resolution

Direct Observation of Active-site Protonation States in a Class A beta lactamase with a monobactam substrate

Released:
DOI: 10.2210/pdb5g18/pdb
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PDB entry 5g18 coloured by chain, front view.
PDB entry 5g18 coloured by chain, side view.
PDB entry 5g18 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A β-Lactamase with a Monobactam Substrate.
Vandavasi VG, Langan PS, Weiss KL, Parks JM, Cooper JB, Ginell SL, Coates L
OpenAccess logo Antimicrob Agents Chemother 61 (2017)
PMID: 27795378

Function and Biology Details

Reaction catalysed: 
a beta-lactam + H2O = 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-175211 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Toho-1 Chain: A
Molecule details ›
Chain: A
Length: 262 amino acids
Theoretical weight: 28.12 KDa
Source organism: Escherichia coli
Expression system: Escherichia coli
UniProt:
  • Canonical: Q47066 (Residues: 30-291; Coverage: 100%)
Gene name: bla
Sequence domains:
Structure domains: DD-peptidase/beta-lactamase superfamily

Ligands and Environments

2 bound ligands:
Ligand AZR 1 x AZR
Ligand SO4 5 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 19-BM
Spacegroup: P3221
Unit cell:
a: 72.445Å b: 72.445Å c: 97.611Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.125 0.124 0.14
Expression system: Escherichia coli

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Citations

2 review citations

Metallo-β-lactamases in the Age of Multidrug Resistance: From Structure and Mechanism to Evolution, Dissemination, and Inhibitor Design.
Bahr et al. (2021)
1 more

4 mentions without citation

Active-Site Protonation States in an Acyl-Enzyme Intermediate of a Class A β-Lactamase with a Monobactam Substrate.
Vandavasi et al. (2017)
3 more

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