Study : bsu30010 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ATP_J_5(4YMV) / Model_18(4YMV/J) = [4.2] Download967.125.44MTNLLEASIEQAGYTSRKKVLTDVFLEVRKGELVGLIGANGAGKSTAIKAILGLSEDFKGHIAWNDCSFAYIPEHPSFYEELTLWEHLDLISTLHGIEESEFAHRAQSLLQTFSLDHVKHELPVTFSKGMQQKLMLIQAFLSKPDMYVIDEPFIGLDPISTKRFVDMLKAEKERGAGILMCTHVLDTAEKICDRFYMIEKGSLFLQGTLKDVQDKTGLEGQSLLDCFYKAVQGDRL
Complex: ATP_A_2(1JI0) / Model_12(1JI0/A) = [4.7] Download925.26-8.80MTNLLEASIEQAGYTSRKKVLTDVFLEVRKGELVGLIGANGAGKSTAIKAILGLSEDFKGHIAWNDCSFAYIPEHPSFYEELTLWEHLDLISTLHGIEESEFAHRAQSLLQTFSLDHVKHELPVTFSKGMQQKLMLIQAFLSKPDMYVIDEPFIGLDPISTKRFVDMLKAEKERGAGILMCTHVLDTAEKICDRFYMIEKGSLFLQGTLKDVQDKTGLEGQSLLDCFYKAVQGDRL
Consensus
[pKd Mean = 4.45]
-946
(s=20)
-1
(s=7)
MTNLLEASIEQAGYTSRKKVLTDVFLEVRKGELVGLIGANGAGKSTAIKAILGLSEDFKGHIAWNDCSFAYIPEHPSFYEELTLWEHLDLISTLHGIEESEFAHRAQSLLQTFSLDHVKHELPVTFSKGMQQKLMLIQAFLSKPDMYVIDEPFIGLDPISTKRFVDMLKAEKERGAGILMCTHVLDTAEKICDRFYMIEKGSLFLQGTLKDVQDKTGLEGQSLLDCFYKAVQGDRL