Study : Wbm0127 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: FMT_A_5(3GKM) / Model_4(3GKM/A) = [3.5] Download173.464.17MELAVGNNAPDFSLPTDSGENLSLSDFFDKKNIVLYFYPKDDTPGCTLEAKGFRDKINDFSSLDTVIIGASRDSIKCHASFKAKYSLPFYLISDENAKMLEKYGVWVEKSMFGKKYMGIERTTFLIDKKDKIVRIWENVKVSGHVNEVLEAVKKI
Complex: CIT_B_4(3DRN) / Model_21(3DRN/B) = [4.0] Download895.6323.58MELAVGNNAPDFSLPTDSGENLSLSDFFDKKNIVLYFYPKDDTPGCTLEAKGFRDKINDFSSLDTVIIGASRDSIKCHASFKAKYSLPFYLISDENAKMLEKYGVWVEKSMFGKKYMGIERTTFLIDKKDKIVRIWENVKVSGHVNEVLEAVKKI
Complex: CIT_A_3(3DRN) / Model_1(3DRN/A) = [4.0] Download743.5527.46MELAVGNNAPDFSLPTDSGENLSLSDFFDKKNIVLYFYPKDDTPGCTLEAKGFRDKINDFSSLDTVIIGASRDSIKCHASFKAKYSLPFYLISDENAKMLEKYGVWVEKSMFGKKYMGIERTTFLIDKKDKIVRIWENVKVSGHVNEVLEAVKKI
Complex: BIH_A_3(3GKN) / Model_82(3GKN/A) = [4.4] Download831.5511.00MELAVGNNAPDFSLPTDSGENLSLSDFFDKKNIVLYFYPKDDTPGCTLEAKGFRDKINDFSSLDTVIIGASRDSIKCHASFKAKYSLPFYLISDENAKMLEKYGVWVEKSMFGKKYMGIERTTFLIDKKDKIVRIWENVKVSGHVNEVLEAVKKI
Complex: BIH_A_3(3GKN) / Model_5(3GKN/A) = [4.5] Download1099.1416.33MELAVGNNAPDFSLPTDSGENLSLSDFFDKKNIVLYFYPKDDTPGCTLEAKGFRDKINDFSSLDTVIIGASRDSIKCHASFKAKYSLPFYLISDENAKMLEKYGVWVEKSMFGKKYMGIERTTFLIDKKDKIVRIWENVKVSGHVNEVLEAVKKI
Consensus
[pKd Mean = 4.08]
-748
(s=310)
16
(s=8)
MELAVGNNAPDFSLPTDSGENLSLSDFFDKKNIVLYFYPKDDTPGCTLEAKGFRDKINDFSSLDTVIIGASRDSIKCHASFKAKYSLPFYLISDENAKMLEKYGVWVEKSMFGKKYMGIERTTFLIDKKDKIVRIWENVKVSGHVNEVLEAVKKI