Study : gbs0861 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: FLC_A_2(3ZH4) / Model_32(3ZH4/A) = [4.1] Download503.064.93MRKIIINGGKQLTGEVAVSGAKNSVVALIPATILADDIVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRGIKVTNVLYEHLESFIAKLDEMGVRMTVEEDSIFVEEQEKLKAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE
Complex: FLC_A_2(3ZH4) / Model_2(3ZH4/A) = [4.1] Download505.524.93MRKIIINGGKQLTGEVAVSGAKNSVVALIPATILADDIVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRGIKVTNVLYEHLESFIAKLDEMGVRMTVEEDSIFVEEQEKLKAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE
Complex: EPU_A_3(2YVW) / Model_14(2YVW/A) = [6.0] Download1642.8315.55MRKIIINGGKQLTGEVAVSGAKNSVVALIPATILADDIVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRGIKVTNVLYEHLESFIAKLDEMGVRMTVEEDSIFVEEQEKLKAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE
Complex: UD1_A_6(2RL2) / Model_13(2RL2/A) = [6.3] Download1383.4817.52MRKIIINGGKQLTGEVAVSGAKNSVVALIPATILADDIVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRGIKVTNVLYEHLESFIAKLDEMGVRMTVEEDSIFVEEQEKLKAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE
Complex: EPU_A_3(2YVW) / Model_40(2YVW/A) = [6.4] Download1670.1017.41MRKIIINGGKQLTGEVAVSGAKNSVVALIPATILADDIVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRGIKVTNVLYEHLESFIAKLDEMGVRMTVEEDSIFVEEQEKLKAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE
Consensus
[pKd Mean = 5.38]		-1140
(s=529)		12
(s=5)		MRKIIINGGKQLTGEVAVSGAKNSVVALIPATILADDIVVLDGVPAISDVDSLVDIMETMGAKIKRYGETLEIDPRGVKDIPMPYGKINSLRASYYFYGSLLGRYGQATVGLPGGCDLGPRPIDLHLKAFEAMGASVSYEGDSMRLATNGKPLQGANIYMDTVSVGATINTMIAAAKANGRTVIENAAREPEIIDVATLLNNMGAHIRGAGTDVITIEGVKSLHGTRHQVIPDRIEAGTYIAMAAAIGRGIKVTNVLYEHLESFIAKLDEMGVRMTVEEDSIFVEEQEKLKAVSIKTSPYPGFATDLQQPLTPLLLTAEGNGSLLDTIYEKRVNHVPELARMGANISTLGGKIVYSGPNQLSGAPVKATDLRAGAALVIAGLMAEGRTEITNIEFILRGYSNIIEKLTSLGADIQLVEE