› 5df9

X-ray diffraction
2.7Å resolution

CRYSTAL STRUCTURE OF PENICILLIN-BINDING PROTEIN 3 IN COMPLEX WITH DEACYLATED PRODUCT OF CEFOPERAZONE

Released:
DOI: 10.2210/pdb5df9/pdb
PDB entry 5df9 coloured by chain, front view.
PDB entry 5df9 coloured by chain, side view.
PDB entry 5df9 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms.
Ren J, Nettleship JE, Males A, Stuart DI, Owens RJ
FEBS Lett 590 288-97 (2016)
PMID: 26823174

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: (Ac)(2)-L-Lys-D-Ala-|-D-Ala. Also transpeptidation of peptidyl-alanyl moieties that are N-acyl substituents of D-alanine.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-175948 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidoglycan D,D-transpeptidase FtsI Chain: A
Molecule details ›
Chain: A
Length: 564 amino acids
Theoretical weight: 61.15 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q51504 (Residues: 35-579; Coverage: 94%)
Gene names: ALP65_00912, CAZ10_21230, GNQ48_11285, GUL26_13375, IPC1295_15535, IPC737_20650, NCTC13621_04221, PAERUG_P19_London_7_VIM_2_05_10_00246, ftsI, ftsI_1, ftsI_2, pbpB
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand SO4 2 x SO4
Ligand 59J 1 x 59J
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: C2
Unit cell:
a: 176.884Å b: 41.264Å c: 87.786Å
α: 90° β: 117.42° γ: 90°
R-values:
R R work R free
0.205 0.202 0.249
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

β-lactam Resistance in Pseudomonas aeruginosa: Current Status, Future Prospects.
Glen et al. (2021)
9 other articles

1 mention without citation

Crystal structures of penicillin-binding protein 3 in complexes with azlocillin and cefoperazone in both acylated and deacylated forms.
Ren et al. (2016)