Study : Lmo0884 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ACJ_B_7(3I6D) / Model_21(3I6D/B) = [3.3] Download1908.6441.84VKHIVIIGGGLSGLAAAYELQKTHPNYTWELVEKDEKLGGKFETVKRDGFLIEKGPDSFLARKPAGVGLVKDLGLEDKLIANATGRSYIYHQKALHPIPEGSVMGIPTDKEALLASTLVSEIGKARALQEPTMERNNQERDQALGDFFEARFGKELVKTIIEPLLSGIYAGDIYKMSLRATFPQFEQTVKKYGNLMDGLKESSMQTTGTKATIGAFRTLEGGLDALPKAIAAALPKENLHTAKQATEIVKKNNAYEISFADGDKMEADGVIIAATHDALIHLLAETTTEPFAGQPLTTLATVSLAYNEQDVPILPDGTGYLVARTAPYKTTACTWVQKKWPHMVPKNKMLLRGFVGKAGETWLEQASDEAIVSAVLRDYAEIMDLHAAPLFYEVSRMKSAMPQYLVNHQDRLKQLKKNIKTDYPGVFFAGMSYEGVGIPDCIAGAQTAAKELVDYLEEV
Complex: ACJ_A_4(3I6D) / Model_1(3I6D/A) = [4.8] Download1584.7044.80VKHIVIIGGGLSGLAAAYELQKTHPNYTWELVEKDEKLGGKFETVKRDGFLIEKGPDSFLARKPAGVGLVKDLGLEDKLIANATGRSYIYHQKALHPIPEGSVMGIPTDKEALLASTLVSEIGKARALQEPTMERNNQERDQALGDFFEARFGKELVKTIIEPLLSGIYAGDIYKMSLRATFPQFEQTVKKYGNLMDGLKESSMQTTGTKATIGAFRTLEGGLDALPKAIAAALPKENLHTAKQATEIVKKNNAYEISFADGDKMEADGVIIAATHDALIHLLAETTTEPFAGQPLTTLATVSLAYNEQDVPILPDGTGYLVARTAPYKTTACTWVQKKWPHMVPKNKMLLRGFVGKAGETWLEQASDEAIVSAVLRDYAEIMDLHAAPLFYEVSRMKSAMPQYLVNHQDRLKQLKKNIKTDYPGVFFAGMSYEGVGIPDCIAGAQTAAKELVDYLEEV
Complex: FAD_B_6(3I6D) / Model_21(3I6D/B) = [11.3] Download577.4728.38VKHIVIIGGGLSGLAAAYELQKTHPNYTWELVEKDEKLGGKFETVKRDGFLIEKGPDSFLARKPAGVGLVKDLGLEDKLIANATGRSYIYHQKALHPIPEGSVMGIPTDKEALLASTLVSEIGKARALQEPTMERNNQERDQALGDFFEARFGKELVKTIIEPLLSGIYAGDIYKMSLRATFPQFEQTVKKYGNLMDGLKESSMQTTGTKATIGAFRTLEGGLDALPKAIAAALPKENLHTAKQATEIVKKNNAYEISFADGDKMEADGVIIAATHDALIHLLAETTTEPFAGQPLTTLATVSLAYNEQDVPILPDGTGYLVARTAPYKTTACTWVQKKWPHMVPKNKMLLRGFVGKAGETWLEQASDEAIVSAVLRDYAEIMDLHAAPLFYEVSRMKSAMPQYLVNHQDRLKQLKKNIKTDYPGVFFAGMSYEGVGIPDCIAGAQTAAKELVDYLEEV
Complex: FAD_A_3(3I6D) / Model_127(3I6D/A) = [11.6] Download795.8626.66VKHIVIIGGGLSGLAAAYELQKTHPNYTWELVEKDEKLGGKFETVKRDGFLIEKGPDSFLARKPAGVGLVKDLGLEDKLIANATGRSYIYHQKALHPIPEGSVMGIPTDKEALLASTLVSEIGKARALQEPTMERNNQERDQALGDFFEARFGKELVKTIIEPLLSGIYAGDIYKMSLRATFPQFEQTVKKYGNLMDGLKESSMQTTGTKATIGAFRTLEGGLDALPKAIAAALPKENLHTAKQATEIVKKNNAYEISFADGDKMEADGVIIAATHDALIHLLAETTTEPFAGQPLTTLATVSLAYNEQDVPILPDGTGYLVARTAPYKTTACTWVQKKWPHMVPKNKMLLRGFVGKAGETWLEQASDEAIVSAVLRDYAEIMDLHAAPLFYEVSRMKSAMPQYLVNHQDRLKQLKKNIKTDYPGVFFAGMSYEGVGIPDCIAGAQTAAKELVDYLEEV
Complex: FAD_A_3(3I6D) / Model_1(3I6D/A) = [11.6] Download741.2526.66VKHIVIIGGGLSGLAAAYELQKTHPNYTWELVEKDEKLGGKFETVKRDGFLIEKGPDSFLARKPAGVGLVKDLGLEDKLIANATGRSYIYHQKALHPIPEGSVMGIPTDKEALLASTLVSEIGKARALQEPTMERNNQERDQALGDFFEARFGKELVKTIIEPLLSGIYAGDIYKMSLRATFPQFEQTVKKYGNLMDGLKESSMQTTGTKATIGAFRTLEGGLDALPKAIAAALPKENLHTAKQATEIVKKNNAYEISFADGDKMEADGVIIAATHDALIHLLAETTTEPFAGQPLTTLATVSLAYNEQDVPILPDGTGYLVARTAPYKTTACTWVQKKWPHMVPKNKMLLRGFVGKAGETWLEQASDEAIVSAVLRDYAEIMDLHAAPLFYEVSRMKSAMPQYLVNHQDRLKQLKKNIKTDYPGVFFAGMSYEGVGIPDCIAGAQTAAKELVDYLEEV
Consensus
[pKd Mean = 8.52]		-1121
(s=525)		33
(s=7)		VKHIVIIGGGLSGLAAAYELQKTHPNYTWELVEKDEKLGGKFETVKRDGFLIEKGPDSFLARKPAGVGLVKDLGLEDKLIANATGRSYIYHQKALHPIPEGSVMGIPTDKEALLASTLVSEIGKARALQEPTMERNNQERDQALGDFFEARFGKELVKTIIEPLLSGIYAGDIYKMSLRATFPQFEQTVKKYGNLMDGLKESSMQTTGTKATIGAFRTLEGGLDALPKAIAAALPKENLHTAKQATEIVKKNNAYEISFADGDKMEADGVIIAATHDALIHLLAETTTEPFAGQPLTTLATVSLAYNEQDVPILPDGTGYLVARTAPYKTTACTWVQKKWPHMVPKNKMLLRGFVGKAGETWLEQASDEAIVSAVLRDYAEIMDLHAAPLFYEVSRMKSAMPQYLVNHQDRLKQLKKNIKTDYPGVFFAGMSYEGVGIPDCIAGAQTAAKELVDYLEEV