Study : SAP018 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: TRS_D_4(1JF8) / Model_4(1JF8/A) = [3.3] Download268.93-13.25MDKKTIYFICTGNSCRSQMAEGWGKEILGEGWNVYSAGIETHGVNPKAIEAMKEVDIDISNHTSDLIDNDILKQSDLVVTLCSDADNNCPILPPNVKKEHWGFDDPAGKEWSEFQRVRDEIKLAIEKFKLR
Complex: TRS_D_4(1JF8) / Model_49(1JF8/A) = [3.3] Download255.85-13.25MDKKTIYFICTGNSCRSQMAEGWGKEILGEGWNVYSAGIETHGVNPKAIEAMKEVDIDISNHTSDLIDNDILKQSDLVVTLCSDADNNCPILPPNVKKEHWGFDDPAGKEWSEFQRVRDEIKLAIEKFKLR
Complex: TRS_D_4(1JF8) / Model_72(1JF8/A) = [3.3] Download268.93-13.25MDKKTIYFICTGNSCRSQMAEGWGKEILGEGWNVYSAGIETHGVNPKAIEAMKEVDIDISNHTSDLIDNDILKQSDLVVTLCSDADNNCPILPPNVKKEHWGFDDPAGKEWSEFQRVRDEIKLAIEKFKLR
Consensus
[pKd Mean = 3.30]		-264
(s=6)		-13
(s=0)		MDKKTIYFICTGNSCRSQMAEGWGKEILGEGWNVYSAGIETHGVNPKAIEAMKEVDIDISNHTSDLIDNDILKQSDLVVTLCSDADNNCPILPPNVKKEHWGFDDPAGKEWSEFQRVRDEIKLAIEKFKLR