› 6yo3

X-ray diffraction
1.84Å resolution

LecA from Pseudomonas aeruginosa in complex with a catechol CAS no. 67984-81-0

Released:
DOI: 10.2210/pdb6yo3/pdb
PDB entry 6yo3 coloured by chain, front view.
PDB entry 6yo3 coloured by chain, side view.
PDB entry 6yo3 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Non-Carbohydrate Glycomimetics as Inhibitors of Calcium(II)-Binding Lectins.
Kuhaudomlarp S, Siebs E, Shanina E, Topin J, Joachim I, da Silva Figueiredo Celestino Gomes P, Varrot A, Rognan D, Rademacher C, Imberty A, Titz A
OpenAccess logo Angew Chem Int Ed Engl 60 8104-8114 (2021)
PMID: 33314528

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170133 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
PA-I galactophilic lectin Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 121 amino acids
Theoretical weight: 12.77 KDa
Source organism: Pseudomonas aeruginosa PAO1
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q05097 (Residues: 2-122; Coverage: 99%)
Gene names: PA2570, lecA, pa1L
Sequence domains: PA-IL-like protein

Ligands and Environments

6 bound ligands:
Ligand CA 4 x CA
Ligand P3K 2 x P3K
Ligand P6G 1 x P6G
Ligand EDO 2 x EDO
Ligand PG4 1 x PG4
Ligand PGE 1 x PGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SOLEIL BEAMLINE PROXIMA 1
Unit cell:
a: 88.943Å b: 48.63Å c: 128.632Å
α: 90° β: 95.59° γ: 90°
R-values:
R R work R free
0.174 0.172 0.208
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

Medicinal chemistry of the myeloid C-type lectin receptors Mincle, Langerin, and DC-SIGN.
Cramer J. (2021)
2 more

3 mentions without citation

Glycomimetics for the inhibition and modulation of lectins.
Leusmann et al. (2023)
2 more