› 4a6s

X-ray diffraction
2.15Å resolution

Structure of the PAIL lectin from Pseudomonas aeruginosa in complex with 2-Naphtyl-1-thio-beta-D-galactopyranoside

Released:
DOI: 10.2210/pdb4a6s/pdb
PDB entry 4a6s coloured by chain, front view.
PDB entry 4a6s coloured by chain, side view.
PDB entry 4a6s coloured by chain, top view.
Source organism: Pseudomonas aeruginosa PAO1
Primary publication:
Aromatic thioglycoside inhibitors against the virulence factor LecA from Pseudomonas aeruginosa.
Rodrigue J, Ganne G, Blanchard B, Saucier C, Giguère D, Shiao TC, Varrot A, Imberty A, Roy R
Org Biomol Chem 11 6906-18 (2013)
PMID: 24057051

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-170132 (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
Structure domains: Galactose-binding lectin

Ligands and Environments

2 bound ligands:
Ligand CA 4 x CA
Ligand GS9 4 x GS9
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P3221
Unit cell:
a: 54.334Å b: 54.334Å c: 390.501Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.217 0.214 0.259
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

9 review citations

A guide into glycosciences: How chemistry, biochemistry and biology cooperate to crack the sugar code.
Solís et al. (2015)
8 more