Study : PA1256 (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: ADP_A_5(2OLJ) / Model_132(2OLJ/A) = [5.9] Download1105.5911.71MIEINDVHKAYGQFEVVKGVDLRVDKGEVLSIIGGSGSGKSTLLMCINGLEPIQRGSIRVDGIDVHARGTDLNRLRRKIGIVFQQWNAFPHLTVLENVMLAPRKVLGKSRAEAEAMALKQLTHVGLGDKLKVFPQRLSGGQQQRMAIARALAMSPDYMLFDEATSALDPQLVGEVLDTMRLLAEEGMTMVLVTHEIRFARDVSDRVAFFRNGLVHEIGPPDQVIGNPQRPETVEFLRSVL
Complex: ATP_A_5(1B0U) / Model_133(1B0U/A) = [6.0] Download996.8319.59MIEINDVHKAYGQFEVVKGVDLRVDKGEVLSIIGGSGSGKSTLLMCINGLEPIQRGSIRVDGIDVHARGTDLNRLRRKIGIVFQQWNAFPHLTVLENVMLAPRKVLGKSRAEAEAMALKQLTHVGLGDKLKVFPQRLSGGQQQRMAIARALAMSPDYMLFDEATSALDPQLVGEVLDTMRLLAEEGMTMVLVTHEIRFARDVSDRVAFFRNGLVHEIGPPDQVIGNPQRPETVEFLRSVL
Complex: ATP_A_5(1B0U) / Model_116(1B0U/A) = [6.1] Download938.6817.94MIEINDVHKAYGQFEVVKGVDLRVDKGEVLSIIGGSGSGKSTLLMCINGLEPIQRGSIRVDGIDVHARGTDLNRLRRKIGIVFQQWNAFPHLTVLENVMLAPRKVLGKSRAEAEAMALKQLTHVGLGDKLKVFPQRLSGGQQQRMAIARALAMSPDYMLFDEATSALDPQLVGEVLDTMRLLAEEGMTMVLVTHEIRFARDVSDRVAFFRNGLVHEIGPPDQVIGNPQRPETVEFLRSVL
Consensus
[pKd Mean = 6.00]		-1013
(s=69)		16
(s=3)		MIEINDVHKAYGQFEVVKGVDLRVDKGEVLSIIGGSGSGKSTLLMCINGLEPIQRGSIRVDGIDVHARGTDLNRLRRKIGIVFQQWNAFPHLTVLENVMLAPRKVLGKSRAEAEAMALKQLTHVGLGDKLKVFPQRLSGGQQQRMAIARALAMSPDYMLFDEATSALDPQLVGEVLDTMRLLAEEGMTMVLVTHEIRFARDVSDRVAFFRNGLVHEIGPPDQVIGNPQRPETVEFLRSVL