Study : PA0168 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: TLA_C_3(2CVE) / Model_8(2CVE/A) = [3.3] Download572.8222.75MPSTLQGLAEYREEIRKSRFHTIAAPVADEDEAQAFIAAHRDASAGHNCWAWKCGAQYRFSDDGEPGGSAGRPILAAIEGQDMDCVAVLVSRWFGGIKLGTGGLARAYGGGAAKCLQQAPRSELVERCRVRFACAFADHALLKARSLALGASVAAEDYGADGVVLTLELPVARFEALQALLVDLSRGQVRPQRLDA
Complex: TLA_C_3(2CVE) / Model_1(2CVE/A) = [3.3] Download516.0922.75MPSTLQGLAEYREEIRKSRFHTIAAPVADEDEAQAFIAAHRDASAGHNCWAWKCGAQYRFSDDGEPGGSAGRPILAAIEGQDMDCVAVLVSRWFGGIKLGTGGLARAYGGGAAKCLQQAPRSELVERCRVRFACAFADHALLKARSLALGASVAAEDYGADGVVLTLELPVARFEALQALLVDLSRGQVRPQRLDA
Consensus
[pKd Mean = 3.30]
-544
(s=28)
22
(s=0)
MPSTLQGLAEYREEIRKSRFHTIAAPVADEDEAQAFIAAHRDASAGHNCWAWKCGAQYRFSDDGEPGGSAGRPILAAIEGQDMDCVAVLVSRWFGGIKLGTGGLARAYGGGAAKCLQQAPRSELVERCRVRFACAFADHALLKARSLALGASVAAEDYGADGVVLTLELPVARFEALQALLVDLSRGQVRPQRLDA