› 8sds

X-ray diffraction
1.63Å resolution

Crystal structure of PDC-3 Y221H beta-lactamase in complex with the boronic acid inhibitor LP-06

Released:
DOI: 10.2210/pdb8sds/pdb
PDB entry 8sds coloured by chain, front view.
PDB entry 8sds coloured by chain, side view.
PDB entry 8sds coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Natural protein engineering in the Ω-loop: the role of Y221 in ceftazidime and ceftolozane resistance in Pseudomonas-derived cephalosporinase.
Mack AR, Kumar V, Taracila MA, Mojica MF, O'Shea M, Schinabeck W, Silver G, Hujer AM, Papp-Wallace KM, Chen S, Haider S, Caselli E, Prati F, van den Akker F, Bonomo RA
Antimicrob Agents Chemother e0079123 (2023)
PMID: 37850746

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150279 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta-lactamase Chain: A
Molecule details ›
Chain: A
Length: 397 amino acids
Theoretical weight: 43.39 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli
UniProt:
  • Canonical: P24735 (Residues: 1-397; Coverage: 100%)
Gene names: PA4110, ampC
Sequence domains: Beta-lactamase

Ligands and Environments

2 bound ligands:
Ligand CB4 1 x CB4
Ligand IMD 1 x IMD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: NSLS-II BEAMLINE 17-ID-2
Spacegroup: P212121
Unit cell:
a: 45.133Å b: 71.498Å c: 105.932Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.157 0.155 0.189
Expression system: Escherichia coli

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