Study : bsu09980 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: MPD_C_26(1SED) / Model_9(1SED/C) = [3.4] Download68.4949.33MDSMDHRIERLEYYIQLLVKTVDMDRYPFYALLIDKGLSKEEGEAVMRICDELSEELATQKAQGFVTFDKLLALFAGQLNEKLDVHETIFALYEQGLYQELMEVFIDIMKHFD
Complex: MPD_A_24(1SED) / Model_21(1SED/A) = [3.6] Download660.2426.00MDSMDHRIERLEYYIQLLVKTVDMDRYPFYALLIDKGLSKEEGEAVMRICDELSEELATQKAQGFVTFDKLLALFAGQLNEKLDVHETIFALYEQGLYQELMEVFIDIMKHFD
Complex: MPD_A_24(1SED) / Model_1(1SED/A) = [3.6] Download660.2426.00MDSMDHRIERLEYYIQLLVKTVDMDRYPFYALLIDKGLSKEEGEAVMRICDELSEELATQKAQGFVTFDKLLALFAGQLNEKLDVHETIFALYEQGLYQELMEVFIDIMKHFD
Complex: MPD_A_24(1SED) / Model_11(1SED/A) = [3.6] Download656.9426.00MDSMDHRIERLEYYIQLLVKTVDMDRYPFYALLIDKGLSKEEGEAVMRICDELSEELATQKAQGFVTFDKLLALFAGQLNEKLDVHETIFALYEQGLYQELMEVFIDIMKHFD
Consensus
[pKd Mean = 3.55]		-511
(s=255)		31
(s=10)		MDSMDHRIERLEYYIQLLVKTVDMDRYPFYALLIDKGLSKEEGEAVMRICDELSEELATQKAQGFVTFDKLLALFAGQLNEKLDVHETIFALYEQGLYQELMEVFIDIMKHFD