Study : bsu08720 (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] : 4 (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_3(3GKM/A) = [3.5] Download265.014.17MTIEIGQKAPDLELKGDHGETVKLSDYKGKYIVLYFYPKDMTPGCTTEACDFRDSHESFAELDAVIIGVSPDSQEKHGKFKEKHNLPFLLLVDDEHKLAEAFDVWKLKKNFGKEYMGIERSTFLIDKEGRLIKEWRKVKVKDHVAEALQTLKDMSEK
Complex: CIT_A_3(3DRN) / Model_6(3DRN/A) = [4.0] Download695.6929.85MTIEIGQKAPDLELKGDHGETVKLSDYKGKYIVLYFYPKDMTPGCTTEACDFRDSHESFAELDAVIIGVSPDSQEKHGKFKEKHNLPFLLLVDDEHKLAEAFDVWKLKKNFGKEYMGIERSTFLIDKEGRLIKEWRKVKVKDHVAEALQTLKDMSEK
Complex: CIT_B_4(3DRN) / Model_22(3DRN/B) = [4.0] Download817.0426.17MTIEIGQKAPDLELKGDHGETVKLSDYKGKYIVLYFYPKDMTPGCTTEACDFRDSHESFAELDAVIIGVSPDSQEKHGKFKEKHNLPFLLLVDDEHKLAEAFDVWKLKKNFGKEYMGIERSTFLIDKEGRLIKEWRKVKVKDHVAEALQTLKDMSEK
Complex: BIH_A_3(3GKN) / Model_4(3GKN/A) = [4.5] Download1166.6216.33MTIEIGQKAPDLELKGDHGETVKLSDYKGKYIVLYFYPKDMTPGCTTEACDFRDSHESFAELDAVIIGVSPDSQEKHGKFKEKHNLPFLLLVDDEHKLAEAFDVWKLKKNFGKEYMGIERSTFLIDKEGRLIKEWRKVKVKDHVAEALQTLKDMSEK
Consensus
[pKd Mean = 4.00]
-736
(s=322)
19
(s=9)
MTIEIGQKAPDLELKGDHGETVKLSDYKGKYIVLYFYPKDMTPGCTTEACDFRDSHESFAELDAVIIGVSPDSQEKHGKFKEKHNLPFLLLVDDEHKLAEAFDVWKLKKNFGKEYMGIERSTFLIDKEGRLIKEWRKVKVKDHVAEALQTLKDMSEK