Study : 620_tI_THECC (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: DAO_E_5(2ALG) / Model_21(2ALG/A) = [3.7] Download790.8645.21ISCANVAGMLSSCINYLRNGGSLPSNCCAGLKSLNTQARNKGIRQAVCRCLQNAAKTITGLKTNLVEGLPRRCGVKIPYKISTSTNCNRVK
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.7] Download1086.0048.89ISCANVAGMLSSCINYLRNGGSLPSNCCAGLKSLNTQARNKGIRQAVCRCLQNAAKTITGLKTNLVEGLPRRCGVKIPYKISTSTNCNRVK
Consensus
[pKd Mean = 4.70]
-938
(s=147)
47
(s=1)
ISCANVAGMLSSCINYLRNGGSLPSNCCAGLKSLNTQARNKGIRQAVCRCLQNAAKTITGLKTNLVEGLPRRCGVKIPYKISTSTNCNRVK