› 3zdv

X-ray diffraction
1.41Å resolution

Crystal structure of the LecB lectin from Pseudomonas aeruginosa in complex with Methyl 6-(2,4,6-trimethylphenylsulfonylamido)-6-deoxy-alpha-D-mannopyranoside

Released:
DOI: 10.2210/pdb3zdv/pdb
PDB entry 3zdv coloured by chain, front view.
PDB entry 3zdv coloured by chain, side view.
PDB entry 3zdv coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Discovery of two classes of potent glycomimetic inhibitors of Pseudomonas aeruginosa LecB with distinct binding modes.
Hauck D, Joachim I, Frommeyer B, Varrot A, Philipp B, Möller HM, Imberty A, Exner TE, Titz A
ACS Chem Biol 8 1775-84 (2013)
PMID: 23719508

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191159 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Calcium-mediated lectin domain-containing protein Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 115 amino acids
Theoretical weight: 11.87 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9HYN5 (Residues: 1-115; Coverage: 100%)
Gene names: PA3361, lecB
Sequence domains: Fucose-binding lectin II (PA-IIL)
Structure domains: Calcium-mediated lectin

Ligands and Environments

6 bound ligands:
Ligand CA 8 x CA
Ligand MMA 4 x MMA
Ligand F1A 4 x F1A
Ligand GOL 1 x GOL
Ligand EDO 1 x EDO
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Spacegroup: P212121
Unit cell:
a: 50.53Å b: 76.98Å c: 99.66Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.116 0.115 0.145
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

6 review citations

Pathoblockers or antivirulence drugs as a new option for the treatment of bacterial infections.
Calvert et al. (2018)
5 more

1 mention without citation

Cinnamide Derivatives of d-Mannose as Inhibitors of the Bacterial Virulence Factor LecB from Pseudomonas aeruginosa.
Sommer et al. (2015)