› 4wel

X-ray diffraction
1.99Å resolution

Crystal structure of Pseudomonas aeruginosa PBP3 with SMC-3176

Released:
DOI: 10.2210/pdb4wel/pdb
PDB entry 4wel coloured by chain, front view.
PDB entry 4wel coloured by chain, side view.
PDB entry 4wel coloured by chain, top view.
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)
Assembly name:
PDBe Complex ID:
PDB-CPX-102440 (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 3LE 1 x 3LE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 17-ID
Spacegroup: P212121
Unit cell:
a: 68.442Å b: 83.337Å c: 89.411Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.191 0.19 0.22
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

1 mention without citation

Targeting Antibiotic Resistance.
Chellat et al. (2016)