Study : SA0791 (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: NHE_E_5(2CUK) / Model_32(2CUK/C) = [3.2] Download869.4217.27MVKIVVSRKIPDKFYQQLSKLGDVVMWQKSLVPMPKDQFVTALRDADACFITLSEQIDAEILAQSPNLKVIANMAVGYDNIDVESATANNVVVTNTPNVLTETTAELGFTLMLAIARRIVEAEKYVEADAWQSWGPYLLSGKDVFNSTIGIYGMGDIGKAFARRLQGFNTNILYHNRSRHKDAEADFNATYVSFETLLAESDFIICTAPLTKETHHKFNAEAFEQMKNDAIFINIGRGQIVDETALIDALDNKEILACGLDVLANEPIDHTHPLMGRDNVLITPHIGSASVTTRDNMIQLCINNIEAVMTNQVPHTPVN
Complex: GOL_A_5(2DBQ) / Model_3(2DBQ/A) = [3.3] Download602.5717.88MVKIVVSRKIPDKFYQQLSKLGDVVMWQKSLVPMPKDQFVTALRDADACFITLSEQIDAEILAQSPNLKVIANMAVGYDNIDVESATANNVVVTNTPNVLTETTAELGFTLMLAIARRIVEAEKYVEADAWQSWGPYLLSGKDVFNSTIGIYGMGDIGKAFARRLQGFNTNILYHNRSRHKDAEADFNATYVSFETLLAESDFIICTAPLTKETHHKFNAEAFEQMKNDAIFINIGRGQIVDETALIDALDNKEILACGLDVLANEPIDHTHPLMGRDNVLITPHIGSASVTTRDNMIQLCINNIEAVMTNQVPHTPVN
Complex: NDP_L_12(2GCG) / Model_30(2GCG/C) = [6.6] Download1771.6814.49MVKIVVSRKIPDKFYQQLSKLGDVVMWQKSLVPMPKDQFVTALRDADACFITLSEQIDAEILAQSPNLKVIANMAVGYDNIDVESATANNVVVTNTPNVLTETTAELGFTLMLAIARRIVEAEKYVEADAWQSWGPYLLSGKDVFNSTIGIYGMGDIGKAFARRLQGFNTNILYHNRSRHKDAEADFNATYVSFETLLAESDFIICTAPLTKETHHKFNAEAFEQMKNDAIFINIGRGQIVDETALIDALDNKEILACGLDVLANEPIDHTHPLMGRDNVLITPHIGSASVTTRDNMIQLCINNIEAVMTNQVPHTPVN
Complex: NDP_K_11(2GCG) / Model_31(2GCG/B) = [6.7] Download1693.5915.07MVKIVVSRKIPDKFYQQLSKLGDVVMWQKSLVPMPKDQFVTALRDADACFITLSEQIDAEILAQSPNLKVIANMAVGYDNIDVESATANNVVVTNTPNVLTETTAELGFTLMLAIARRIVEAEKYVEADAWQSWGPYLLSGKDVFNSTIGIYGMGDIGKAFARRLQGFNTNILYHNRSRHKDAEADFNATYVSFETLLAESDFIICTAPLTKETHHKFNAEAFEQMKNDAIFINIGRGQIVDETALIDALDNKEILACGLDVLANEPIDHTHPLMGRDNVLITPHIGSASVTTRDNMIQLCINNIEAVMTNQVPHTPVN
Complex: NDP_J_10(2GCG) / Model_58(2GCG/A) = [7.3] Download1809.5515.41MVKIVVSRKIPDKFYQQLSKLGDVVMWQKSLVPMPKDQFVTALRDADACFITLSEQIDAEILAQSPNLKVIANMAVGYDNIDVESATANNVVVTNTPNVLTETTAELGFTLMLAIARRIVEAEKYVEADAWQSWGPYLLSGKDVFNSTIGIYGMGDIGKAFARRLQGFNTNILYHNRSRHKDAEADFNATYVSFETLLAESDFIICTAPLTKETHHKFNAEAFEQMKNDAIFINIGRGQIVDETALIDALDNKEILACGLDVLANEPIDHTHPLMGRDNVLITPHIGSASVTTRDNMIQLCINNIEAVMTNQVPHTPVN
Consensus
[pKd Mean = 5.42]
-1349
(s=509)
16
(s=1)
MVKIVVSRKIPDKFYQQLSKLGDVVMWQKSLVPMPKDQFVTALRDADACFITLSEQIDAEILAQSPNLKVIANMAVGYDNIDVESATANNVVVTNTPNVLTETTAELGFTLMLAIARRIVEAEKYVEADAWQSWGPYLLSGKDVFNSTIGIYGMGDIGKAFARRLQGFNTNILYHNRSRHKDAEADFNATYVSFETLLAESDFIICTAPLTKETHHKFNAEAFEQMKNDAIFINIGRGQIVDETALIDALDNKEILACGLDVLANEPIDHTHPLMGRDNVLITPHIGSASVTTRDNMIQLCINNIEAVMTNQVPHTPVN