Study : jhp_0018 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: GOL_A_5(3N29) / Model_1(3N29/A) = [3.7] Download262.2324.54MKKYSAIPTPCYALESERLEKNAKILEIVRQQSGAKVLLALKGYAFWREFGILRQKLNGCCASGLYEAKLAFEEFGGRESHKEICVYSPAFKEAEMSAILPLATSIIFNSFHQYATYKDRILDKNKQLENLGLSPIKMGLRINPLYSEVTPAIYNPCSKMSRLGITPSGFEKGVKEHGLEGVSGLHFHTHCEQNADALCRTLEHVERHFKPYLENMAWVNFGGGHHITRSDYDVNLLIQTIKDFKERYHNTEVILEPGEAIGWQCGFLIASVIDIVQNDQEIAILDASFSAHMPDCLEMPYRPSILKVSVENDEEIIEVEKGENQGAFSYFLGGPTCLAGDFMGSFSFETPLKRGDKIVFQDMLHYTIVKNNSFNGVPLPSLAKIDSQGFKILKSFSYEDYKNRN
Complex: GOL_B_7(3N29) / Model_21(3N29/B) = [3.7] Download399.6924.53MKKYSAIPTPCYALESERLEKNAKILEIVRQQSGAKVLLALKGYAFWREFGILRQKLNGCCASGLYEAKLAFEEFGGRESHKEICVYSPAFKEAEMSAILPLATSIIFNSFHQYATYKDRILDKNKQLENLGLSPIKMGLRINPLYSEVTPAIYNPCSKMSRLGITPSGFEKGVKEHGLEGVSGLHFHTHCEQNADALCRTLEHVERHFKPYLENMAWVNFGGGHHITRSDYDVNLLIQTIKDFKERYHNTEVILEPGEAIGWQCGFLIASVIDIVQNDQEIAILDASFSAHMPDCLEMPYRPSILKVSVENDEEIIEVEKGENQGAFSYFLGGPTCLAGDFMGSFSFETPLKRGDKIVFQDMLHYTIVKNNSFNGVPLPSLAKIDSQGFKILKSFSYEDYKNRN
Consensus
[pKd Mean = 3.70]
-330
(s=68)
24
(s=0)
MKKYSAIPTPCYALESERLEKNAKILEIVRQQSGAKVLLALKGYAFWREFGILRQKLNGCCASGLYEAKLAFEEFGGRESHKEICVYSPAFKEAEMSAILPLATSIIFNSFHQYATYKDRILDKNKQLENLGLSPIKMGLRINPLYSEVTPAIYNPCSKMSRLGITPSGFEKGVKEHGLEGVSGLHFHTHCEQNADALCRTLEHVERHFKPYLENMAWVNFGGGHHITRSDYDVNLLIQTIKDFKERYHNTEVILEPGEAIGWQCGFLIASVIDIVQNDQEIAILDASFSAHMPDCLEMPYRPSILKVSVENDEEIIEVEKGENQGAFSYFLGGPTCLAGDFMGSFSFETPLKRGDKIVFQDMLHYTIVKNNSFNGVPLPSLAKIDSQGFKILKSFSYEDYKNRN