Study : SA2405 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: FAD_A_2(4HA6) / Model_7(4HA6/A) = [11.6] Download465.5036.24MSNKNKSYDYVIIGGGSAGSVLGNRLSEDKDKEVLVLEAGRSDYFWDLFIQMPAALMFPSGNKFYDWIYSTDEEPHMGGRKVAHARGKVLGGSSSINGMIYQRGNPMDYEGWAEPEGMETWDFAHCLPYFKKLEKTYGAAPYDKFRGHDGPIKLKRGPATNPLFQSFFDAGVEAGYHKTPDVNGFRQEGFGPFDSQVHRGRRMSASRAYLHPAMKRKNLTVETRAFVTEIHYEGRRATGVTYKKNGKLHTIDANEVILSGGAFNTPQLLQLSGIGDSEFLKSKGIEPRVHLPGVGENFEDHLEVYIQHKCKEPVSLQPSLDIKRMPFIGLQWIFTRTGAAASNHFEGGGFVRSNNEVDYPNLMFHFLPIAVRYDGQKAAVAHGYQVHVGPMYSNSRGSLKIKSKDPFEKPSIRFNYLSTEEDKKEWVEAIRVARNILSQKAMDPFNGGEISPGPEVQTDEEILDWVRRDGETALHPSCSAKMGPASDPMAVVDPLTMKVHGMENLRVVDASAMPRTTNGNIHAPVLMLAEKAADIIRGRKPLEPQYIDYYKHGVHDENEGAIEVKPYAK
Complex: FAD_A_2(3T37) / Model_6(3T37/A) = [12.4] Download458.5234.39MSNKNKSYDYVIIGGGSAGSVLGNRLSEDKDKEVLVLEAGRSDYFWDLFIQMPAALMFPSGNKFYDWIYSTDEEPHMGGRKVAHARGKVLGGSSSINGMIYQRGNPMDYEGWAEPEGMETWDFAHCLPYFKKLEKTYGAAPYDKFRGHDGPIKLKRGPATNPLFQSFFDAGVEAGYHKTPDVNGFRQEGFGPFDSQVHRGRRMSASRAYLHPAMKRKNLTVETRAFVTEIHYEGRRATGVTYKKNGKLHTIDANEVILSGGAFNTPQLLQLSGIGDSEFLKSKGIEPRVHLPGVGENFEDHLEVYIQHKCKEPVSLQPSLDIKRMPFIGLQWIFTRTGAAASNHFEGGGFVRSNNEVDYPNLMFHFLPIAVRYDGQKAAVAHGYQVHVGPMYSNSRGSLKIKSKDPFEKPSIRFNYLSTEEDKKEWVEAIRVARNILSQKAMDPFNGGEISPGPEVQTDEEILDWVRRDGETALHPSCSAKMGPASDPMAVVDPLTMKVHGMENLRVVDASAMPRTTNGNIHAPVLMLAEKAADIIRGRKPLEPQYIDYYKHGVHDENEGAIEVKPYAK
Consensus
[pKd Mean = 12.00]
-462
(s=3)
35
(s=0)
MSNKNKSYDYVIIGGGSAGSVLGNRLSEDKDKEVLVLEAGRSDYFWDLFIQMPAALMFPSGNKFYDWIYSTDEEPHMGGRKVAHARGKVLGGSSSINGMIYQRGNPMDYEGWAEPEGMETWDFAHCLPYFKKLEKTYGAAPYDKFRGHDGPIKLKRGPATNPLFQSFFDAGVEAGYHKTPDVNGFRQEGFGPFDSQVHRGRRMSASRAYLHPAMKRKNLTVETRAFVTEIHYEGRRATGVTYKKNGKLHTIDANEVILSGGAFNTPQLLQLSGIGDSEFLKSKGIEPRVHLPGVGENFEDHLEVYIQHKCKEPVSLQPSLDIKRMPFIGLQWIFTRTGAAASNHFEGGGFVRSNNEVDYPNLMFHFLPIAVRYDGQKAAVAHGYQVHVGPMYSNSRGSLKIKSKDPFEKPSIRFNYLSTEEDKKEWVEAIRVARNILSQKAMDPFNGGEISPGPEVQTDEEILDWVRRDGETALHPSCSAKMGPASDPMAVVDPLTMKVHGMENLRVVDASAMPRTTNGNIHAPVLMLAEKAADIIRGRKPLEPQYIDYYKHGVHDENEGAIEVKPYAK