Study : bsu30850 (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: TTP_E_5(2GGQ) / Model_10(2GGQ/A) = [5.3] Download1443.2614.19MIKKAIIPAGGFGTRNLPVTKVIPKEMFPVGSKPVIHYLVEELKESGIEDILMVVSSHKNLIVDYFDSSLALEAFLASKNKLHLLREHPIPDIRIHYVRQPYAKGLGDAISFGKQFAGGEPFAVVLPDDLIFSANQPALGQLIEAYTKYQSSVIGLKETKTEDLHHYGVIKGEPVEKGLYRIQDIVEKPKQNPPSHFAAAGRYIFTPDIFNELEALEADSGGEVQVTDAIKASLGACTVYGKLLEGERYDIGLQKDYLKLIYDMLKTEKNPQ
Complex: UPG_A_2(5I1F) / Model_3(5I1F/A) = [6.5] Download1251.9619.77MIKKAIIPAGGFGTRNLPVTKVIPKEMFPVGSKPVIHYLVEELKESGIEDILMVVSSHKNLIVDYFDSSLALEAFLASKNKLHLLREHPIPDIRIHYVRQPYAKGLGDAISFGKQFAGGEPFAVVLPDDLIFSANQPALGQLIEAYTKYQSSVIGLKETKTEDLHHYGVIKGEPVEKGLYRIQDIVEKPKQNPPSHFAAAGRYIFTPDIFNELEALEADSGGEVQVTDAIKASLGACTVYGKLLEGERYDIGLQKDYLKLIYDMLKTEKNPQ
Complex: UPG_A_2(5I1F) / Model_57(5I1F/A) = [6.5] Download1210.3719.77MIKKAIIPAGGFGTRNLPVTKVIPKEMFPVGSKPVIHYLVEELKESGIEDILMVVSSHKNLIVDYFDSSLALEAFLASKNKLHLLREHPIPDIRIHYVRQPYAKGLGDAISFGKQFAGGEPFAVVLPDDLIFSANQPALGQLIEAYTKYQSSVIGLKETKTEDLHHYGVIKGEPVEKGLYRIQDIVEKPKQNPPSHFAAAGRYIFTPDIFNELEALEADSGGEVQVTDAIKASLGACTVYGKLLEGERYDIGLQKDYLKLIYDMLKTEKNPQ
Complex: GUD_A_13(2PA4) / Model_4(2PA4/A) = [6.8] Download1122.3822.24MIKKAIIPAGGFGTRNLPVTKVIPKEMFPVGSKPVIHYLVEELKESGIEDILMVVSSHKNLIVDYFDSSLALEAFLASKNKLHLLREHPIPDIRIHYVRQPYAKGLGDAISFGKQFAGGEPFAVVLPDDLIFSANQPALGQLIEAYTKYQSSVIGLKETKTEDLHHYGVIKGEPVEKGLYRIQDIVEKPKQNPPSHFAAAGRYIFTPDIFNELEALEADSGGEVQVTDAIKASLGACTVYGKLLEGERYDIGLQKDYLKLIYDMLKTEKNPQ
Complex: GUD_A_13(2PA4) / Model_52(2PA4/A) = [6.8] Download1175.2722.24MIKKAIIPAGGFGTRNLPVTKVIPKEMFPVGSKPVIHYLVEELKESGIEDILMVVSSHKNLIVDYFDSSLALEAFLASKNKLHLLREHPIPDIRIHYVRQPYAKGLGDAISFGKQFAGGEPFAVVLPDDLIFSANQPALGQLIEAYTKYQSSVIGLKETKTEDLHHYGVIKGEPVEKGLYRIQDIVEKPKQNPPSHFAAAGRYIFTPDIFNELEALEADSGGEVQVTDAIKASLGACTVYGKLLEGERYDIGLQKDYLKLIYDMLKTEKNPQ
Consensus
[pKd Mean = 6.38]		-1240
(s=109)		19
(s=3)		MIKKAIIPAGGFGTRNLPVTKVIPKEMFPVGSKPVIHYLVEELKESGIEDILMVVSSHKNLIVDYFDSSLALEAFLASKNKLHLLREHPIPDIRIHYVRQPYAKGLGDAISFGKQFAGGEPFAVVLPDDLIFSANQPALGQLIEAYTKYQSSVIGLKETKTEDLHHYGVIKGEPVEKGLYRIQDIVEKPKQNPPSHFAAAGRYIFTPDIFNELEALEADSGGEVQVTDAIKASLGACTVYGKLLEGERYDIGLQKDYLKLIYDMLKTEKNPQ