› 6t7l

X-ray diffraction
1.47Å resolution

Crystal structure of AmpC from E.coli with Nacubactam (OP0595)

Released:
DOI: 10.2210/pdb6t7l/pdb
PDB entry 6t7l coloured by chain, front view.
PDB entry 6t7l coloured by chain, side view.
PDB entry 6t7l coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Structural Investigations of the Inhibition of Escherichia coli AmpC β-Lactamase by Diazabicyclooctanes.
Lang PA, Leissing TM, Page MGP, Schofield CJ, Brem J
OpenAccess logo Antimicrob Agents Chemother 65 (2021)
PMID: 33199391

Function and Biology Details

Reaction catalysed: 
A beta-lactam + H(2)O = a substituted beta-amino acid
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-133599 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chain: A
Molecule details ›
Chain: A
Length: 358 amino acids
Theoretical weight: 39.59 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli str. K-12 substr. W3110
UniProt:
  • Canonical: P00811 (Residues: 20-377; Coverage: 100%)
Gene names: JW4111, ampA, ampC, b4150
Sequence domains: Beta-lactamase

Ligands and Environments

6 bound ligands:
Ligand MES 1 x MES
Ligand OP0 1 x OP0
Ligand ZN 2 x ZN
Ligand SO4 1 x SO4
Ligand PGE 1 x PGE
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P4332
Unit cell:
a: 138.178Å b: 138.178Å c: 138.178Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.156 0.155 0.182
Expression system: Escherichia coli str. K-12 substr. W3110

Quick links

Citations

4 review citations

New Carbapenemase Inhibitors: Clearing the Way for the β-Lactams.
Vázquez-Ucha et al. (2020)
3 more

1 mention without citation

Structural Investigations of the Inhibition of Escherichia coli AmpC β-Lactamase by Diazabicyclooctanes.
Lang et al. (2021)