Study : Rv2509 (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: NAP_A_5(3RKU) / Model_7(3RKU/A) = [8.8] Download1154.1824.81MPIPAPSPDARAVVTGASQNIGAALATELAARGHHLIVTARREDVLTELAARLADKYRVTVDVRPADLADPQERSKLADELAARPISILCANAGTATFGPIASLDLAGEKTQVQLNAVAVHDLTLAVLPGMIERKAGGILISGSAAGNSPIPYNATYAATKAFVNTFSESLRGELRGSGVHVTVLAPGPVRTELPDASEASLVEKLVPDFLWISTEHTARVSLNALERNKMRVVPGLTSKAMSVASQYAPRAIVAPIVGAFYKRLGGS
Complex: NAP_C_7(3RKU) / Model_46(3RKU/C) = [9.4] Download1078.7124.81MPIPAPSPDARAVVTGASQNIGAALATELAARGHHLIVTARREDVLTELAARLADKYRVTVDVRPADLADPQERSKLADELAARPISILCANAGTATFGPIASLDLAGEKTQVQLNAVAVHDLTLAVLPGMIERKAGGILISGSAAGNSPIPYNATYAATKAFVNTFSESLRGELRGSGVHVTVLAPGPVRTELPDASEASLVEKLVPDFLWISTEHTARVSLNALERNKMRVVPGLTSKAMSVASQYAPRAIVAPIVGAFYKRLGGS
Complex: NAP_B_6(3P19) / Model_50(3P19/B) = [9.7] Download917.7920.29MPIPAPSPDARAVVTGASQNIGAALATELAARGHHLIVTARREDVLTELAARLADKYRVTVDVRPADLADPQERSKLADELAARPISILCANAGTATFGPIASLDLAGEKTQVQLNAVAVHDLTLAVLPGMIERKAGGILISGSAAGNSPIPYNATYAATKAFVNTFSESLRGELRGSGVHVTVLAPGPVRTELPDASEASLVEKLVPDFLWISTEHTARVSLNALERNKMRVVPGLTSKAMSVASQYAPRAIVAPIVGAFYKRLGGS
Complex: NAP_B_6(3RKU) / Model_47(3RKU/B) = [10.1] Download996.1024.81MPIPAPSPDARAVVTGASQNIGAALATELAARGHHLIVTARREDVLTELAARLADKYRVTVDVRPADLADPQERSKLADELAARPISILCANAGTATFGPIASLDLAGEKTQVQLNAVAVHDLTLAVLPGMIERKAGGILISGSAAGNSPIPYNATYAATKAFVNTFSESLRGELRGSGVHVTVLAPGPVRTELPDASEASLVEKLVPDFLWISTEHTARVSLNALERNKMRVVPGLTSKAMSVASQYAPRAIVAPIVGAFYKRLGGS
Complex: NAP_D_8(3RKU) / Model_45(3RKU/D) = [10.2] Download1268.7724.81MPIPAPSPDARAVVTGASQNIGAALATELAARGHHLIVTARREDVLTELAARLADKYRVTVDVRPADLADPQERSKLADELAARPISILCANAGTATFGPIASLDLAGEKTQVQLNAVAVHDLTLAVLPGMIERKAGGILISGSAAGNSPIPYNATYAATKAFVNTFSESLRGELRGSGVHVTVLAPGPVRTELPDASEASLVEKLVPDFLWISTEHTARVSLNALERNKMRVVPGLTSKAMSVASQYAPRAIVAPIVGAFYKRLGGS
Consensus
[pKd Mean = 9.64]
-1083
(s=122)
23
(s=2)
MPIPAPSPDARAVVTGASQNIGAALATELAARGHHLIVTARREDVLTELAARLADKYRVTVDVRPADLADPQERSKLADELAARPISILCANAGTATFGPIASLDLAGEKTQVQLNAVAVHDLTLAVLPGMIERKAGGILISGSAAGNSPIPYNATYAATKAFVNTFSESLRGELRGSGVHVTVLAPGPVRTELPDASEASLVEKLVPDFLWISTEHTARVSLNALERNKMRVVPGLTSKAMSVASQYAPRAIVAPIVGAFYKRLGGS