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SUMMARY:Binding site similarity\, small- molecule similarity and binding p
 rofiles - Dr Rafi Najmanovich\, (European Bioinformatics Institute)
DTSTART:20060623T111000Z
DTEND:20060623T115500Z
UID:TALK5086@talks.cam.ac.uk
CONTACT:Duncan Simpson
DESCRIPTION:In the present work we combine computational analysis and expe
 rimental data to explore the extent to which binding site similarities bet
 ween members of the human cytosolic sulfotransferase family correlate with
  small-molecule binding profiles. Conversely\, from a small-molecule point
  of view\, we explore the extent to which structural similarities between 
 small-molecules correlate to protein binding profiles. The comparison of b
 inding site structural similarities and small-molecule binding profiles sh
 ows that proteins with similar small-molecule binding profiles tend to hav
 e a higher degree of binding site similarity but the latter is not suffici
 ent to predict small-molecule binding patterns\, highlighting the difficul
 ty of predicting small-molecule binding patterns from sequence or structur
 e. Likewise\, from a small-molecule perspective\, small-molecules with sim
 ilar protein binding profiles tend to be topologically similar but topolog
 ical similarity is not sufficient to predict their protein binding pattern
 s. These observations have important consequences for function prediction 
 and drug design
LOCATION:Emmanuel College Cambridge
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