Study : jhp_1491 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: ATP_A_6(4WQ4) / Model_5(4WQ4/A) = [5.4] Download1121.5918.44MILSIESSCDDSSLALTRIEDAKLIAHFKISQEKHHSSYGGVVPEIASRLHAENLPLLLERVKISLNKDFSKIKAIAITNQPGLSVTLIEGLMMAKALSLSLNLPLILEDHLRGHVYSLFINEKQTRMPLSVLLVSGGHSLILEARDYEDIKIVATSLDDSFGESFDKVSKMLDLGYPGGPIVEKLALDYAHPNEPLMFPIPLKNSPNLAFSFSGLKNAVRLEVEKNAHNLNDEVKQKIGYHFQSAAIEHLIQQTKRYFKIKRPKIFGIVGGASQNLALRKAFEDLCAEFDCELVLAPLEFCSDNAAMIGRSSLEAYQKKRFIPLEKADISPRTLLKNFE
Complex: ADP_B_12(4YDU) / Model_20(4YDU/B) = [6.1] Download1008.4012.97MILSIESSCDDSSLALTRIEDAKLIAHFKISQEKHHSSYGGVVPEIASRLHAENLPLLLERVKISLNKDFSKIKAIAITNQPGLSVTLIEGLMMAKALSLSLNLPLILEDHLRGHVYSLFINEKQTRMPLSVLLVSGGHSLILEARDYEDIKIVATSLDDSFGESFDKVSKMLDLGYPGGPIVEKLALDYAHPNEPLMFPIPLKNSPNLAFSFSGLKNAVRLEVEKNAHNLNDEVKQKIGYHFQSAAIEHLIQQTKRYFKIKRPKIFGIVGGASQNLALRKAFEDLCAEFDCELVLAPLEFCSDNAAMIGRSSLEAYQKKRFIPLEKADISPRTLLKNFE
Complex: ADP_A_5(4YDU) / Model_4(4YDU/A) = [6.2] Download846.9512.97MILSIESSCDDSSLALTRIEDAKLIAHFKISQEKHHSSYGGVVPEIASRLHAENLPLLLERVKISLNKDFSKIKAIAITNQPGLSVTLIEGLMMAKALSLSLNLPLILEDHLRGHVYSLFINEKQTRMPLSVLLVSGGHSLILEARDYEDIKIVATSLDDSFGESFDKVSKMLDLGYPGGPIVEKLALDYAHPNEPLMFPIPLKNSPNLAFSFSGLKNAVRLEVEKNAHNLNDEVKQKIGYHFQSAAIEHLIQQTKRYFKIKRPKIFGIVGGASQNLALRKAFEDLCAEFDCELVLAPLEFCSDNAAMIGRSSLEAYQKKRFIPLEKADISPRTLLKNFE
Complex: AGS_B_10(3ZEU) / Model_26(3ZEU/B) = [6.3] Download1118.8521.72MILSIESSCDDSSLALTRIEDAKLIAHFKISQEKHHSSYGGVVPEIASRLHAENLPLLLERVKISLNKDFSKIKAIAITNQPGLSVTLIEGLMMAKALSLSLNLPLILEDHLRGHVYSLFINEKQTRMPLSVLLVSGGHSLILEARDYEDIKIVATSLDDSFGESFDKVSKMLDLGYPGGPIVEKLALDYAHPNEPLMFPIPLKNSPNLAFSFSGLKNAVRLEVEKNAHNLNDEVKQKIGYHFQSAAIEHLIQQTKRYFKIKRPKIFGIVGGASQNLALRKAFEDLCAEFDCELVLAPLEFCSDNAAMIGRSSLEAYQKKRFIPLEKADISPRTLLKNFE
Complex: AGS_E_16(3ZEU) / Model_18(3ZEU/E) = [6.5] Download1052.2015.52MILSIESSCDDSSLALTRIEDAKLIAHFKISQEKHHSSYGGVVPEIASRLHAENLPLLLERVKISLNKDFSKIKAIAITNQPGLSVTLIEGLMMAKALSLSLNLPLILEDHLRGHVYSLFINEKQTRMPLSVLLVSGGHSLILEARDYEDIKIVATSLDDSFGESFDKVSKMLDLGYPGGPIVEKLALDYAHPNEPLMFPIPLKNSPNLAFSFSGLKNAVRLEVEKNAHNLNDEVKQKIGYHFQSAAIEHLIQQTKRYFKIKRPKIFGIVGGASQNLALRKAFEDLCAEFDCELVLAPLEFCSDNAAMIGRSSLEAYQKKRFIPLEKADISPRTLLKNFE
Consensus
[pKd Mean = 6.10]
-1029
(s=100)
16
(s=3)
MILSIESSCDDSSLALTRIEDAKLIAHFKISQEKHHSSYGGVVPEIASRLHAENLPLLLERVKISLNKDFSKIKAIAITNQPGLSVTLIEGLMMAKALSLSLNLPLILEDHLRGHVYSLFINEKQTRMPLSVLLVSGGHSLILEARDYEDIKIVATSLDDSFGESFDKVSKMLDLGYPGGPIVEKLALDYAHPNEPLMFPIPLKNSPNLAFSFSGLKNAVRLEVEKNAHNLNDEVKQKIGYHFQSAAIEHLIQQTKRYFKIKRPKIFGIVGGASQNLALRKAFEDLCAEFDCELVLAPLEFCSDNAAMIGRSSLEAYQKKRFIPLEKADISPRTLLKNFE