› 4wej

X-ray diffraction
2.04Å resolution

Crystal structure of Pseudomonas aeruginosa PBP3 with a R4 substituted allyl monocarbam

Released:
DOI: 10.2210/pdb4wej/pdb
PDB 4wej coloured by chain and viewed from the front.
PDB 4wej coloured by chain and viewed from the side.
PDB 4wej coloured by chain and viewed from the top.
Source organism: Pseudomonas aeruginosa PA14
Primary publication:
SAR and Structural Analysis of Siderophore-Conjugated Monocarbam Inhibitors of Pseudomonas aeruginosa PBP3.
Murphy-Benenato KE, Dangel B, Davis HE, Durand-Réville TF, Ferguson AD, Gao N, Jahić H, Mueller JP, Manyak EL, Quiroga O, Rooney M, Sha L, Sylvester M, Wu F, Zambrowski M, Zhao SX
ACS Med Chem Lett 6 537-42 (2015)
PMID: 26005529

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Penicillin-binding protein 3 Chain: A
Molecule details ›
Chain: A
Length: 538 amino acids
Theoretical weight: 58.33 KDa
Source organism: Pseudomonas aeruginosa PA14
Expression system: Escherichia coli
UniProt:
  • Canonical: A0A0M3KKZ3 (Residues: 1-490; Coverage: 100%)
Gene name: CIA_00399
Sequence domains:
Structure domains:

Ligands and Environments

1 bound ligand:
Ligand 3LB 1 x 3LB
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 67.788Å b: 83.047Å c: 88.801Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.225
Expression system: Escherichia coli

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Citations

4 review citations

Glycosyltransferases and Transpeptidases/Penicillin-Binding Proteins: Valuable Targets for New Antibacterials.
Sauvage et al. (2016)
3 more