Study : Wbm0202 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: SAM_C_9(4OBW) / Model_23(4OBW/C) = [6.9] Download784.2213.00MNKSQLVKKVFDSVAYRYDIMNDIISLGIHRLWKDKMVNSVHFTKNSQVLDVAGGTGDIAIRIVRREPSVQVTVCDINQNMLSRGRNKAINSNQLNFNWVCANAESLPFEDSEFDCCTIAFGIRNVSDRKKALSEIHRVLKPNGQFICLEFAPMHYKNEIFTKLYDLYSLKVIPKIGNIVTKDESPYQYLVRSIREFPVQTDFKMEIEEVGFKKVKFHNMSYGIVALHTGTK
Complex: SAM_A_6(4OBW) / Model_1(4OBW/A) = [7.2] Download895.7812.83MNKSQLVKKVFDSVAYRYDIMNDIISLGIHRLWKDKMVNSVHFTKNSQVLDVAGGTGDIAIRIVRREPSVQVTVCDINQNMLSRGRNKAINSNQLNFNWVCANAESLPFEDSEFDCCTIAFGIRNVSDRKKALSEIHRVLKPNGQFICLEFAPMHYKNEIFTKLYDLYSLKVIPKIGNIVTKDESPYQYLVRSIREFPVQTDFKMEIEEVGFKKVKFHNMSYGIVALHTGTK
Complex: SAM_D_7(4OBW) / Model_22(4OBW/D) = [7.9] Download927.7618.39MNKSQLVKKVFDSVAYRYDIMNDIISLGIHRLWKDKMVNSVHFTKNSQVLDVAGGTGDIAIRIVRREPSVQVTVCDINQNMLSRGRNKAINSNQLNFNWVCANAESLPFEDSEFDCCTIAFGIRNVSDRKKALSEIHRVLKPNGQFICLEFAPMHYKNEIFTKLYDLYSLKVIPKIGNIVTKDESPYQYLVRSIREFPVQTDFKMEIEEVGFKKVKFHNMSYGIVALHTGTK
Complex: SAM_B_10(4OBW) / Model_24(4OBW/B) = [8.4] Download790.6815.25MNKSQLVKKVFDSVAYRYDIMNDIISLGIHRLWKDKMVNSVHFTKNSQVLDVAGGTGDIAIRIVRREPSVQVTVCDINQNMLSRGRNKAINSNQLNFNWVCANAESLPFEDSEFDCCTIAFGIRNVSDRKKALSEIHRVLKPNGQFICLEFAPMHYKNEIFTKLYDLYSLKVIPKIGNIVTKDESPYQYLVRSIREFPVQTDFKMEIEEVGFKKVKFHNMSYGIVALHTGTK
Consensus
[pKd Mean = 7.60]
-849
(s=63)
14
(s=2)
MNKSQLVKKVFDSVAYRYDIMNDIISLGIHRLWKDKMVNSVHFTKNSQVLDVAGGTGDIAIRIVRREPSVQVTVCDINQNMLSRGRNKAINSNQLNFNWVCANAESLPFEDSEFDCCTIAFGIRNVSDRKKALSEIHRVLKPNGQFICLEFAPMHYKNEIFTKLYDLYSLKVIPKIGNIVTKDESPYQYLVRSIREFPVQTDFKMEIEEVGFKKVKFHNMSYGIVALHTGTK