Study : bsu14510 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: ADP_M_13(2HMV) / Model_32(2HMV/B) = [6.0] Download1313.538.04MKKEFAVIGLGRFGGSICKALSEEGVEVMAMDIDEDKVNEYAKIASHAVIGDSTDESVLKNLGLRNFDHVIVAIGENIQASILTTLILKELGVHTITVKAQNDYHEKVLSKIGADHIVHPERDMAKRIAHNIVSNNVLDYLELSEEHSLVEIVANSRLAGNTLLDLDIRAKYGINIVAIKRGKEVIVSPLATEVIHQEDILIVIGSVTDISRFEKRVLHTK
Complex: ATP_M_13(2HMU) / Model_33(2HMU/B) = [6.0] Download1146.078.15MKKEFAVIGLGRFGGSICKALSEEGVEVMAMDIDEDKVNEYAKIASHAVIGDSTDESVLKNLGLRNFDHVIVAIGENIQASILTTLILKELGVHTITVKAQNDYHEKVLSKIGADHIVHPERDMAKRIAHNIVSNNVLDYLELSEEHSLVEIVANSRLAGNTLLDLDIRAKYGINIVAIKRGKEVIVSPLATEVIHQEDILIVIGSVTDISRFEKRVLHTK
Complex: NAI_M_13(2HMT) / Model_34(2HMT/B) = [6.1] Download1540.895.52MKKEFAVIGLGRFGGSICKALSEEGVEVMAMDIDEDKVNEYAKIASHAVIGDSTDESVLKNLGLRNFDHVIVAIGENIQASILTTLILKELGVHTITVKAQNDYHEKVLSKIGADHIVHPERDMAKRIAHNIVSNNVLDYLELSEEHSLVEIVANSRLAGNTLLDLDIRAKYGINIVAIKRGKEVIVSPLATEVIHQEDILIVIGSVTDISRFEKRVLHTK
Complex: ADP_I_9(2HMV) / Model_8(2HMV/A) = [6.2] Download985.337.04MKKEFAVIGLGRFGGSICKALSEEGVEVMAMDIDEDKVNEYAKIASHAVIGDSTDESVLKNLGLRNFDHVIVAIGENIQASILTTLILKELGVHTITVKAQNDYHEKVLSKIGADHIVHPERDMAKRIAHNIVSNNVLDYLELSEEHSLVEIVANSRLAGNTLLDLDIRAKYGINIVAIKRGKEVIVSPLATEVIHQEDILIVIGSVTDISRFEKRVLHTK
Complex: ATP_M_13(2HMW) / Model_31(2HMW/B) = [6.2] Download1155.2410.68MKKEFAVIGLGRFGGSICKALSEEGVEVMAMDIDEDKVNEYAKIASHAVIGDSTDESVLKNLGLRNFDHVIVAIGENIQASILTTLILKELGVHTITVKAQNDYHEKVLSKIGADHIVHPERDMAKRIAHNIVSNNVLDYLELSEEHSLVEIVANSRLAGNTLLDLDIRAKYGINIVAIKRGKEVIVSPLATEVIHQEDILIVIGSVTDISRFEKRVLHTK
Consensus
[pKd Mean = 6.10]
-1228
(s=187)
7
(s=1)
MKKEFAVIGLGRFGGSICKALSEEGVEVMAMDIDEDKVNEYAKIASHAVIGDSTDESVLKNLGLRNFDHVIVAIGENIQASILTTLILKELGVHTITVKAQNDYHEKVLSKIGADHIVHPERDMAKRIAHNIVSNNVLDYLELSEEHSLVEIVANSRLAGNTLLDLDIRAKYGINIVAIKRGKEVIVSPLATEVIHQEDILIVIGSVTDISRFEKRVLHTK