Study : SA2469 (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: 144_A_10(3CQ5) / Model_9(3CQ5/A) = [3.1] Download667.161.75MIYIDKNESPVTPLDEKTMTSIISATPYNLYPDAAYEQFKEAYAKFYGLSPEQIIAGNGSDELIQKLMLIMPEGPALTLNPDFFMYQAYAAQVNREIAFVDAGSDLTFDLETILTKIDEVQPSFFIMSNPHNPSGKQFDTAFLTAIADKMKALNGYFVIDEAYLDYGTAYDVELAPHILRMRTLSKAFGIAGLRLGVLISTAGTIKHIQKIEHPYPLNVFTLNIATYIFRHREETRVFLTMQRQLAEQLKQIFDTHVADKMSVFPSNANFVLTKGSAAHQLGQYVYEQGFKPRFYDEPVMKGYVRYSIATASQLKQLEEIVKEWSAKYDLSKTTKHS
Complex: HSA_E_5(1GEX) / Model_2(1GEX/A) = [3.2] Download908.214.48MIYIDKNESPVTPLDEKTMTSIISATPYNLYPDAAYEQFKEAYAKFYGLSPEQIIAGNGSDELIQKLMLIMPEGPALTLNPDFFMYQAYAAQVNREIAFVDAGSDLTFDLETILTKIDEVQPSFFIMSNPHNPSGKQFDTAFLTAIADKMKALNGYFVIDEAYLDYGTAYDVELAPHILRMRTLSKAFGIAGLRLGVLISTAGTIKHIQKIEHPYPLNVFTLNIATYIFRHREETRVFLTMQRQLAEQLKQIFDTHVADKMSVFPSNANFVLTKGSAAHQLGQYVYEQGFKPRFYDEPVMKGYVRYSIATASQLKQLEEIVKEWSAKYDLSKTTKHS
Complex: PLP_A_3(1IJI) / Model_4(1IJI/A) = [4.7] Download393.538.35MIYIDKNESPVTPLDEKTMTSIISATPYNLYPDAAYEQFKEAYAKFYGLSPEQIIAGNGSDELIQKLMLIMPEGPALTLNPDFFMYQAYAAQVNREIAFVDAGSDLTFDLETILTKIDEVQPSFFIMSNPHNPSGKQFDTAFLTAIADKMKALNGYFVIDEAYLDYGTAYDVELAPHILRMRTLSKAFGIAGLRLGVLISTAGTIKHIQKIEHPYPLNVFTLNIATYIFRHREETRVFLTMQRQLAEQLKQIFDTHVADKMSVFPSNANFVLTKGSAAHQLGQYVYEQGFKPRFYDEPVMKGYVRYSIATASQLKQLEEIVKEWSAKYDLSKTTKHS
Complex: PMP_A_2(1FG7) / Model_6(1FG7/A) = [5.1] Download542.7511.61MIYIDKNESPVTPLDEKTMTSIISATPYNLYPDAAYEQFKEAYAKFYGLSPEQIIAGNGSDELIQKLMLIMPEGPALTLNPDFFMYQAYAAQVNREIAFVDAGSDLTFDLETILTKIDEVQPSFFIMSNPHNPSGKQFDTAFLTAIADKMKALNGYFVIDEAYLDYGTAYDVELAPHILRMRTLSKAFGIAGLRLGVLISTAGTIKHIQKIEHPYPLNVFTLNIATYIFRHREETRVFLTMQRQLAEQLKQIFDTHVADKMSVFPSNANFVLTKGSAAHQLGQYVYEQGFKPRFYDEPVMKGYVRYSIATASQLKQLEEIVKEWSAKYDLSKTTKHS
Complex: PMP_A_11(3CQ5) / Model_9(3CQ5/A) = [5.1] Download564.7415.38MIYIDKNESPVTPLDEKTMTSIISATPYNLYPDAAYEQFKEAYAKFYGLSPEQIIAGNGSDELIQKLMLIMPEGPALTLNPDFFMYQAYAAQVNREIAFVDAGSDLTFDLETILTKIDEVQPSFFIMSNPHNPSGKQFDTAFLTAIADKMKALNGYFVIDEAYLDYGTAYDVELAPHILRMRTLSKAFGIAGLRLGVLISTAGTIKHIQKIEHPYPLNVFTLNIATYIFRHREETRVFLTMQRQLAEQLKQIFDTHVADKMSVFPSNANFVLTKGSAAHQLGQYVYEQGFKPRFYDEPVMKGYVRYSIATASQLKQLEEIVKEWSAKYDLSKTTKHS
Consensus
[pKd Mean = 4.24]
-615
(s=170)
8
(s=4)
MIYIDKNESPVTPLDEKTMTSIISATPYNLYPDAAYEQFKEAYAKFYGLSPEQIIAGNGSDELIQKLMLIMPEGPALTLNPDFFMYQAYAAQVNREIAFVDAGSDLTFDLETILTKIDEVQPSFFIMSNPHNPSGKQFDTAFLTAIADKMKALNGYFVIDEAYLDYGTAYDVELAPHILRMRTLSKAFGIAGLRLGVLISTAGTIKHIQKIEHPYPLNVFTLNIATYIFRHREETRVFLTMQRQLAEQLKQIFDTHVADKMSVFPSNANFVLTKGSAAHQLGQYVYEQGFKPRFYDEPVMKGYVRYSIATASQLKQLEEIVKEWSAKYDLSKTTKHS