4CPB
CRYSTAL STRUCTURE OF LECA IN COMPLEX WITH A DIVALENT GALACTOSIDE AT 1. 57 ANGSTROM IN MAGNESIUM
Summary for 4CPB
| Entry DOI | 10.2210/pdb4cpb/pdb |
| Related | 4CP9 |
| Descriptor | PA-I GALACTOPHILIC LECTIN, CALCIUM ION, beta-D-galactopyranose, ... (10 entities in total) |
| Functional Keywords | sugar binding protein, galactose binding, sugar based inhibitor |
| Biological source | PSEUDOMONAS AERUGINOSA More |
| Cellular location | Cytoplasm: Q05097 Q05097 |
| Total number of polymer chains | 4 |
| Total formula weight | 54774.03 |
| Authors | Topin, J.,Varrot, A.,Imberty, A.,Wissinger, N. (deposition date: 2014-02-04, release date: 2014-10-08, Last modification date: 2023-12-20) |
| Primary citation | Novoa, A.,Eierhoff, T.,Topin, J.,Varrot, A.,Barluenga, S.,Imberty, A.,Romer, W.,Winssinger, N. A Leca Ligand Identified from a Galactoside-Conjugate Array Inhibits Host Cell Invasion by Pseudomonas Aeruginosa. Angew.Chem.Int.Ed.Engl., 53:8885-, 2014 Cited by PubMed Abstract: Lectin LecA is a virulence factor of Pseudomonas aeruginosa involved in lung injury, mortality, and cellular invasion. Ligands competing with human glycoconjugates for LecA binding are thus promising candidates to counteract P. aeruginosa infections. We have identified a novel divalent ligand from a focused galactoside(Gal)-conjugate array which binds to LecA with very high affinity (Kd = 82 nM). Crystal structures of LecA complexed with the ligand together with modeling studies confirmed its ability to chelate two binding sites of LecA. The ligand lowers cellular invasiveness of P. aeruginosa up to 90 % when applied in the range of 0.05-5 μM. Hence, this ligand might lead to the development of drugs against P. aeruginosa infection. PubMed: 25044671DOI: 10.1002/ANIE.201402831 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.57 Å) |
Structure validation
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