› 4oon

X-ray diffraction
3.2Å resolution

Crystal structure of PBP1a in complex with compound 17 ((4Z,8S,11E,14S)-5-(2-amino-1,3-thiazol-4-yl)-14-(5,6-dihydroxy-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-8-formyl-2-methyl-6-oxo-3,10-dioxa-4,7,11-triazatetradeca-4,11-diene-2,12,14-tricarboxylic acid)

Released:
DOI: 10.2210/pdb4oon/pdb
PDB entry 4oon coloured by chain, front view.
PDB entry 4oon coloured by chain, side view.
PDB entry 4oon coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Siderophore receptor-mediated uptake of lactivicin analogues in gram-negative bacteria.
Starr J, Brown MF, Aschenbrenner L, Caspers N, Che Y, Gerstenberger BS, Huband M, Knafels JD, Lemmon MM, Li C, McCurdy SP, McElroy E, Rauckhorst MR, Tomaras AP, Young JA, Zaniewski RP, Shanmugasundaram V, Han S
J Med Chem 57 3845-55 (2014)
PMID: 24694215

Function and Biology Details

Reactions catalysed: 
(GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala))(n)-diphosphoundecaprenol + GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala)-diphosphoundecaprenol = (GlcNAc-(1->4)-Mur2Ac(oyl-L-Ala-gamma-D-Glu-L-Lys-D-Ala-D-Ala))(n+1)-diphosphoundecaprenol + undecaprenyl diphosphate
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-170504 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Penicillin-binding protein 1A Chain: A
Molecule details ›
Chain: A
Length: 795 amino acids
Theoretical weight: 88.38 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli
UniProt:
  • Canonical: Q07806 (Residues: 36-822; Coverage: 96%)
Gene names: PA5045, mrcA, ponA
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 2U4 1 x 2U4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P41212
Unit cell:
a: 113.77Å b: 113.77Å c: 123.46Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.17 0.168 0.216
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Targeting Antibiotic Resistance.
Chellat et al. (2016)
9 more

1 mention without citation

Azlocillin can be the potential drug candidate against drug-tolerant Borrelia burgdorferi sensu stricto JLB31.
Pothineni et al. (2020)