Study : jhp_0025 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: EDO_A_13(3QY0) / Model_7(3QY0/A) = [3.1] Download604.7314.09MLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAINHSSDAHLFLQDNRLLDRSLTLKDISFYRYHKASAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENMLDFALKLKAKMLLISHDNLGLINDCLLNDFLLKSYQLDYKIAINLRGNNTAFYSVSLPYIELFNKRSNNPIVIFQQSLKELMSFALK
Complex: GDP_A_2(3QY0) / Model_7(3QY0/A) = [4.0] Download820.660.77MLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAINHSSDAHLFLQDNRLLDRSLTLKDISFYRYHKASAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENMLDFALKLKAKMLLISHDNLGLINDCLLNDFLLKSYQLDYKIAINLRGNNTAFYSVSLPYIELFNKRSNNPIVIFQQSLKELMSFALK
Complex: GTP_A_2(3QXJ) / Model_4(3QXJ/A) = [5.2] Download1263.43-0.61MLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAINHSSDAHLFLQDNRLLDRSLTLKDISFYRYHKASAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENMLDFALKLKAKMLLISHDNLGLINDCLLNDFLLKSYQLDYKIAINLRGNNTAFYSVSLPYIELFNKRSNNPIVIFQQSLKELMSFALK
Complex: GDP_A_3(3QXX) / Model_6(3QXX/A) = [6.3] Download1062.8913.00MLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAINHSSDAHLFLQDNRLLDRSLTLKDISFYRYHKASAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENMLDFALKLKAKMLLISHDNLGLINDCLLNDFLLKSYQLDYKIAINLRGNNTAFYSVSLPYIELFNKRSNNPIVIFQQSLKELMSFALK
Complex: ATP_A_2(3QXC) / Model_42(3QXC/A) = [6.5] Download1363.6112.86MLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAINHSSDAHLFLQDNRLLDRSLTLKDISFYRYHKASAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENMLDFALKLKAKMLLISHDNLGLINDCLLNDFLLKSYQLDYKIAINLRGNNTAFYSVSLPYIELFNKRSNNPIVIFQQSLKELMSFALK
Consensus
[pKd Mean = 5.02]
-1023
(s=279)
8
(s=6)
MLFISATNTNAGKTTCARLLAQYCNACGVKTILLKPIETGVNDAINHSSDAHLFLQDNRLLDRSLTLKDISFYRYHKASAPLIAQQEEDPNAPIDTDNLTQRLHNFTKTYDLVIVEGAGGLCVPITLEENMLDFALKLKAKMLLISHDNLGLINDCLLNDFLLKSYQLDYKIAINLRGNNTAFYSVSLPYIELFNKRSNNPIVIFQQSLKELMSFALK