Study : bsu30450 (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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: LMT_A_7(4MKI) / Model_39(4MKI/B) = [4.2] Download537.04-22.57MIELRQLSKAIDGNQVLKDVSLTIEKGEIFGLLGRNGSGKTTMLRLIQQIIFADSGTILFDGVEIKKHPKVKQNIIYMPVQNPFYDKYTYKQLVDILRRIYPKFDVTYANELMNRYEIPETKKYRELSTGLKKQLSLVLSFAARPALILLDEPTDGIDAVTRHDVLQLMVDEVAERDTSILITSHRLEDIERMCNRIGFLEDNSLTNVMDLDELKEEYIKIQMAFDTDVNLAIREQNIPMLDQAGVFYTVLIPKSDEEKKSFLRELKPKVWNELPVNLEEVFIAKFGGKRRW
Consensus
[pKd Mean = 4.20]
-537
(s=0)
-22
(s=0)
MIELRQLSKAIDGNQVLKDVSLTIEKGEIFGLLGRNGSGKTTMLRLIQQIIFADSGTILFDGVEIKKHPKVKQNIIYMPVQNPFYDKYTYKQLVDILRRIYPKFDVTYANELMNRYEIPETKKYRELSTGLKKQLSLVLSFAARPALILLDEPTDGIDAVTRHDVLQLMVDEVAERDTSILITSHRLEDIERMCNRIGFLEDNSLTNVMDLDELKEEYIKIQMAFDTDVNLAIREQNIPMLDQAGVFYTVLIPKSDEEKKSFLRELKPKVWNELPVNLEEVFIAKFGGKRRW