› 8de1

X-ray diffraction
1.56Å resolution

TEM-1 beta-lactamase A237Y mutant covalently bound to avibactam

Released:
DOI: 10.2210/pdb8de1/pdb
PDB entry 8de1 coloured by chain, front view.
PDB entry 8de1 coloured by chain, side view.
PDB entry 8de1 coloured by chain, top view.
Source organism: Escherichia coli
Primary publication:
Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases.
Ji Z, Kozuch J, Mathews II, Diercks CS, Shamsudin Y, Schulz MA, Boxer SG
J Am Chem Soc 144 20947-20954 (2022)
PMID: 36324090

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-158652 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase TEM Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 264 amino acids
Theoretical weight: 29.06 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:

Ligands and Environments

1 bound ligand:
Ligand NXL 4 x NXL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P21
Unit cell:
a: 60.61Å b: 83.57Å c: 95.86Å
α: 90° β: 90.44° γ: 90°
R-values:
R R work R free
0.207 0.206 0.221
Expression system: Escherichia coli

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Citations

1 review citation

Direct measurements of biomolecular electrostatics through experiments.
Iwahara et al. (2023)
5 other articles