1jr0

CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011

Structural highlights 1jr0 is a 5 chain structure with sequence from Vibrio cholerae. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: Related: 1lts, 1lta, 1lt6, 1fd7, 1jqy Gene: ctxb (Vibrio cholerae) Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed The action of cholera toxin and E. coli heat-labile enterotoxin can be inhibited by blocking their binding to the cell-surface receptor GM1. We have used anchor-based design to create 15 receptor binding inhibitors that contain the previously characterized inhibitor MNPG as a substructure. In ELISA assays, all 15 compounds exhibited increased potency relative to MNPG. Binding affinities for two compounds, each containing a morpholine ring linked to MNPG via a hydrophobic tail, were characterized by pulsed ultrafiltration (PUF) and isothermal titration calorimetry (ITC). Crystal structures for these compounds bound to toxin B pentamer revealed a conserved binding mode for the MNPG moiety, with multiple binding modes adopted by the attached morpholine derivatives. The observed binding interactions can be exploited in the design of improved toxin binding inhibitors. Anchor-based design of improved cholera toxin and E. coli heat-labile enterotoxin receptor binding antagonists that display multiple binding modes.,Pickens JC, Merritt EA, Ahn M, Verlinde CL, Hol WG, Fan E Chem Biol. 2002 Feb;9(2):215-24. PMID:11880036 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Cholera toxin User:David Solfiell/sandbox 1

spinqualitylabelsall models 1jr0, resolution 1.30Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image