1jr0

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[[Image:1jr0.jpg|left|200px]]
[[Image:1jr0.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1jr0 |SIZE=350|CAPTION= <scene name='initialview01'>1jr0</scene>, resolution 1.30&Aring;
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The line below this paragraph, containing "STRUCTURE_1jr0", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=A24:(3-NITRO-5-(2-MORPHOLIN-4-YL-ETHYLAMINOCARBONYL)PHENYL)-GALACTOPYRANOSIDE'>A24</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY=
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or leave the SCENE parameter empty for the default display.
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|GENE= ctxb ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=666 Vibrio cholerae])
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-->
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|DOMAIN=
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{{STRUCTURE_1jr0| PDB=1jr0 | SCENE= }}
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|RELATEDENTRY=[[1lts|1LTS]], [[1lta|1LTA]], [[1lt6|1LT6]], [[1fd7|1FD7]], [[1jqy|1JQY]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1jr0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1jr0 OCA], [http://www.ebi.ac.uk/pdbsum/1jr0 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1jr0 RCSB]</span>
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}}
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'''CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011'''
'''CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011'''
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[[Category: Hol, W G.J.]]
[[Category: Hol, W G.J.]]
[[Category: Merritt, E A.]]
[[Category: Merritt, E A.]]
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[[Category: b-pentamer]]
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[[Category: B-pentamer]]
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[[Category: enterotoxin]]
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[[Category: Enterotoxin]]
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[[Category: receptor]]
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[[Category: Receptor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Fri May 2 21:42:57 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 21:37:44 2008''
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Revision as of 18:42, 2 May 2008

Image:1jr0.jpg

Template:STRUCTURE 1jr0

CHOLERA TOXIN B-PENTAMER WITH LIGAND BMSC-0011


Overview

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.

About this Structure

1JR0 is a Single protein structure of sequence from Vibrio cholerae. Full crystallographic information is available from OCA.

Reference

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 Page seeded by OCA on Fri May 2 21:42:57 2008

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