Study : bsu06060 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: EDO_A_24(3SWR) / Model_33(3SWR/A) = [3.5] Download349.7416.54MTNFILNENKQLSLAIEDENIENFYIDGTDLVRKIIRRSGSGVTSRVPVLSTQDLENKNLHELYDESWLRMKNRPNTELTTESINIADLFSGCGGLSLGVWEACRALGINPRFSFACDLNEAALSVYEKNFSPDFSLNESIEKHINGELGAPLTVEEQRIKDKVKKIDFILAGPPCQGHSDLNNHTRRKDPRNALLMRVSRVIELFQPSSVLVENVPGIIHDKSGSFKEFKNHLKTQGYYFDEIVLNAEKLGVSQARRRYFIFASKTPVSSLNQINEFYSTNSRPISWAISDLVENVGDDIFNTASEHSLENKRRIEYLFENNLFELPNSERPDCHRLKPHSYKSVYGRMYWDRPAPTITRGFGSTGQGRFVHSLLKRTITPHEAARIQFFPDFFNFGDLRRRQYQDVIGNAVPSKLSYLLALHQLR
Complex: SFG_A_2(3SWR) / Model_33(3SWR/A) = [7.2] Download1164.1216.26MTNFILNENKQLSLAIEDENIENFYIDGTDLVRKIIRRSGSGVTSRVPVLSTQDLENKNLHELYDESWLRMKNRPNTELTTESINIADLFSGCGGLSLGVWEACRALGINPRFSFACDLNEAALSVYEKNFSPDFSLNESIEKHINGELGAPLTVEEQRIKDKVKKIDFILAGPPCQGHSDLNNHTRRKDPRNALLMRVSRVIELFQPSSVLVENVPGIIHDKSGSFKEFKNHLKTQGYYFDEIVLNAEKLGVSQARRRYFIFASKTPVSSLNQINEFYSTNSRPISWAISDLVENVGDDIFNTASEHSLENKRRIEYLFENNLFELPNSERPDCHRLKPHSYKSVYGRMYWDRPAPTITRGFGSTGQGRFVHSLLKRTITPHEAARIQFFPDFFNFGDLRRRQYQDVIGNAVPSKLSYLLALHQLR
Consensus
[pKd Mean = 5.35]
-756
(s=407)
16
(s=0)
MTNFILNENKQLSLAIEDENIENFYIDGTDLVRKIIRRSGSGVTSRVPVLSTQDLENKNLHELYDESWLRMKNRPNTELTTESINIADLFSGCGGLSLGVWEACRALGINPRFSFACDLNEAALSVYEKNFSPDFSLNESIEKHINGELGAPLTVEEQRIKDKVKKIDFILAGPPCQGHSDLNNHTRRKDPRNALLMRVSRVIELFQPSSVLVENVPGIIHDKSGSFKEFKNHLKTQGYYFDEIVLNAEKLGVSQARRRYFIFASKTPVSSLNQINEFYSTNSRPISWAISDLVENVGDDIFNTASEHSLENKRRIEYLFENNLFELPNSERPDCHRLKPHSYKSVYGRMYWDRPAPTITRGFGSTGQGRFVHSLLKRTITPHEAARIQFFPDFFNFGDLRRRQYQDVIGNAVPSKLSYLLALHQLR