Study : bsu31140 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: CYS_B_6(4QM9) / Model_21(4QM9/B) = [3.3] Download1175.3734.35MELYECIQDIFGGLKNPSVKDLATSLKQIPNAAKLSQPYIKEPDQYAYGRNAIYRNNELEIIVINIPPNKETTVHDHGQSIGCAMVLEGKLLNSIYRSTGEHAELSNSYFVHEGECLISTKGLIHKMSNPTSERMVSLHVYSPPLEDMTVFEEQKEVLENS
Complex: CYS_A_4(4QM9) / Model_1(4QM9/A) = [3.6] Download1148.1134.35MELYECIQDIFGGLKNPSVKDLATSLKQIPNAAKLSQPYIKEPDQYAYGRNAIYRNNELEIIVINIPPNKETTVHDHGQSIGCAMVLEGKLLNSIYRSTGEHAELSNSYFVHEGECLISTKGLIHKMSNPTSERMVSLHVYSPPLEDMTVFEEQKEVLENS
Complex: CYS_A_4(4QM9) / Model_33(4QM9/A) = [3.6] Download1203.9836.32MELYECIQDIFGGLKNPSVKDLATSLKQIPNAAKLSQPYIKEPDQYAYGRNAIYRNNELEIIVINIPPNKETTVHDHGQSIGCAMVLEGKLLNSIYRSTGEHAELSNSYFVHEGECLISTKGLIHKMSNPTSERMVSLHVYSPPLEDMTVFEEQKEVLENS
Consensus
[pKd Mean = 3.50]		-1175
(s=22)		35
(s=0)		MELYECIQDIFGGLKNPSVKDLATSLKQIPNAAKLSQPYIKEPDQYAYGRNAIYRNNELEIIVINIPPNKETTVHDHGQSIGCAMVLEGKLLNSIYRSTGEHAELSNSYFVHEGECLISTKGLIHKMSNPTSERMVSLHVYSPPLEDMTVFEEQKEVLENS