Study : bsu07690 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: MET_B_4(3MX6) / Model_70(3MX6/B) = [3.1] Download3336.2216.83MIVTNDQELEGLKKIGRIVALAREEMKRKAEPGMSTKDLDLIGKAVLDEHGAVSAPEKEYDFPGVTCISVNDEVAHGIPSTSKILKAGDLVNIDISAEFGGFYSDTGISFVLGEGEERLHKLCQCAENAFQKGLQQAKAGKRQNQIGRAVYHEARSQGFTVIKTLTGHGIGRSLHEAPNHIMNYYDPFDNALFKNGTVIALEPFISTKAETIVEAGDGWTFKTPDKSMVAQVEHTIVITKDEPIILTKL
Complex: MET_A_5(1C21) / Model_51(1C21/A) = [3.1] Download2418.8813.54MIVTNDQELEGLKKIGRIVALAREEMKRKAEPGMSTKDLDLIGKAVLDEHGAVSAPEKEYDFPGVTCISVNDEVAHGIPSTSKILKAGDLVNIDISAEFGGFYSDTGISFVLGEGEERLHKLCQCAENAFQKGLQQAKAGKRQNQIGRAVYHEARSQGFTVIKTLTGHGIGRSLHEAPNHIMNYYDPFDNALFKNGTVIALEPFISTKAETIVEAGDGWTFKTPDKSMVAQVEHTIVITKDEPIILTKL
Complex: MET_A_9(4FO8) / Model_57(4FO8/A) = [3.1] Download2112.3013.07MIVTNDQELEGLKKIGRIVALAREEMKRKAEPGMSTKDLDLIGKAVLDEHGAVSAPEKEYDFPGVTCISVNDEVAHGIPSTSKILKAGDLVNIDISAEFGGFYSDTGISFVLGEGEERLHKLCQCAENAFQKGLQQAKAGKRQNQIGRAVYHEARSQGFTVIKTLTGHGIGRSLHEAPNHIMNYYDPFDNALFKNGTVIALEPFISTKAETIVEAGDGWTFKTPDKSMVAQVEHTIVITKDEPIILTKL
Complex: MET_A_5(1YJ3) / Model_80(1YJ3/A) = [3.1] Download2288.0612.49MIVTNDQELEGLKKIGRIVALAREEMKRKAEPGMSTKDLDLIGKAVLDEHGAVSAPEKEYDFPGVTCISVNDEVAHGIPSTSKILKAGDLVNIDISAEFGGFYSDTGISFVLGEGEERLHKLCQCAENAFQKGLQQAKAGKRQNQIGRAVYHEARSQGFTVIKTLTGHGIGRSLHEAPNHIMNYYDPFDNALFKNGTVIALEPFISTKAETIVEAGDGWTFKTPDKSMVAQVEHTIVITKDEPIILTKL
Complex: MET_C_17(4FO8) / Model_55(4FO8/C) = [3.1] Download2081.8412.80MIVTNDQELEGLKKIGRIVALAREEMKRKAEPGMSTKDLDLIGKAVLDEHGAVSAPEKEYDFPGVTCISVNDEVAHGIPSTSKILKAGDLVNIDISAEFGGFYSDTGISFVLGEGEERLHKLCQCAENAFQKGLQQAKAGKRQNQIGRAVYHEARSQGFTVIKTLTGHGIGRSLHEAPNHIMNYYDPFDNALFKNGTVIALEPFISTKAETIVEAGDGWTFKTPDKSMVAQVEHTIVITKDEPIILTKL
Consensus
[pKd Mean = 3.10]
-2447
(s=460)
13
(s=1)
MIVTNDQELEGLKKIGRIVALAREEMKRKAEPGMSTKDLDLIGKAVLDEHGAVSAPEKEYDFPGVTCISVNDEVAHGIPSTSKILKAGDLVNIDISAEFGGFYSDTGISFVLGEGEERLHKLCQCAENAFQKGLQQAKAGKRQNQIGRAVYHEARSQGFTVIKTLTGHGIGRSLHEAPNHIMNYYDPFDNALFKNGTVIALEPFISTKAETIVEAGDGWTFKTPDKSMVAQVEHTIVITKDEPIILTKL