5ney

X-ray diffraction
1.55Å resolution

Discovery, crystal structures and atomic force microscopy study of thioether ligated D,L-cyclic antimicrobial peptides against multidrug resistant Pseudomonas aeruginosa

Released:

Function and Biology Details

Biochemical function:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
hetero pentamer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
PA-IIL domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 114 amino acids
Theoretical weight: 11.73 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9HYN5 (Residues: 2-115; Coverage: 99%)
Gene names: PA3361, lecB
Sequence domains: Fucose-binding lectin II (PA-IIL)
Structure domains: Calcium-mediated lectin
CYS-TRD-TRP-LYD-LYS-LYD-LYS-LYD-TRP-TRD-CYS-ALA Chain: E
Molecule details ›
Chain: E
Length: 12 amino acids
Theoretical weight: 1.68 KDa
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

3 bound ligands:
2 modified residues:

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06DA
Spacegroup: C2
Unit cell:
a: 94.925Å b: 45.748Å c: 103.85Å
α: 90° β: 114.98° γ: 90°
R-values:
R R work R free
0.186 0.185 0.217
Expression systems:
  • Escherichia coli
  • Not provided