Document Detail


Structure-based design of a periplasmic binding protein antagonist that prevents domain closure.
MedLine Citation:
PMID:  19348466     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
Many receptors undergo ligand-induced conformational changes to initiate signal transduction. Periplasmic binding proteins (PBPs) are bacterial receptors that exhibit dramatic conformational changes upon ligand binding. These proteins mediate a wide variety of fundamental processes including transport, chemotaxis, and quorum sensing. Despite the importance of these receptors, no PBP antagonists have been identified and characterized. In this study, we identify 3-O-methyl-d-glucose as an antagonist of glucose/galactose-binding protein and demonstrate that it inhibits glucose chemotaxis in E. coli. Using small-angle X-ray scattering and X-ray crystallography, we show that this antagonist acts as a wedge. It prevents the large-scale domain closure that gives rise to the active signaling state. Guided by these results and the structures of open and closed glucose/galactose-binding protein, we designed and synthesized an antagonist composed of two linked glucose residues. These findings provide a blueprint for the design of new bacterial PBP inhibitors. Given the key role of PBPs in microbial physiology, we anticipate that PBP antagonists will have widespread uses as probes and antimicrobial agents.
Authors:
M Jack Borrok; Yimin Zhu; Katrina T Forest; Laura L Kiessling
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Publication Detail:
Type:  Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't    
Journal Detail:
Title:  ACS chemical biology     Volume:  4     ISSN:  1554-8937     ISO Abbreviation:  ACS Chem. Biol.     Publication Date:  2009 Jun 
Date Detail:
Created Date:  2009-06-22     Completed Date:  2009-08-31     Revised Date:  2013-06-02    
Medline Journal Info:
Nlm Unique ID:  101282906     Medline TA:  ACS Chem Biol     Country:  United States    
Other Details:
Languages:  eng     Pagination:  447-56     Citation Subset:  IM    
Affiliation:
Department of Biochemistry, University of Wisconsin, Madison, Wisconsin 53706, USA.
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MeSH Terms
Descriptor/Qualifier:
3-O-Methylglucose / chemistry,  pharmacology*
Binding Sites
Crystallography, X-Ray
Drug Design*
Ligands
Models, Molecular
Molecular Conformation
Periplasmic Binding Proteins / antagonists & inhibitors*,  chemistry
Structure-Activity Relationship
Grant Support
ID/Acronym/Agency:
GM059984/GM/NIGMS NIH HHS; GM07215/GM/NIGMS NIH HHS; R01 GM055984-11/GM/NIGMS NIH HHS
Chemical
Reg. No./Substance:
0/Ligands; 0/Periplasmic Binding Proteins; 146-72-5/3-O-Methylglucose
Comments/Corrections

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