Study : SA1205 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: CIT_A_2(1UJP) / Model_36(1UJP/A) = [3.3] Download564.3036.12MTKLFIPYIMGNKDLIENATLLSENGADIIEIGVPFSDPVADGPVIMEAGQQAIKQGITIDYIFNQLEKHGDQIKCNYVLMTYYNIICHYGEQAFFEKCRDTGVYGLIIPDLPYELSQRLKQQFSHYGVKIISLVAMTTDDKRIKDIVSHAEGFIYTVTMNATTGQNGAFHPELKRKIESIKAIANVPVVAGFGIRTPQHVADIKEVADGIVIGSEIVKRFKSNTREEIIRYLQSIQQTLNN
Complex: IPL_A_6(1WXJ) / Model_6(1WXJ/A) = [4.5] Download957.1923.91MTKLFIPYIMGNKDLIENATLLSENGADIIEIGVPFSDPVADGPVIMEAGQQAIKQGITIDYIFNQLEKHGDQIKCNYVLMTYYNIICHYGEQAFFEKCRDTGVYGLIIPDLPYELSQRLKQQFSHYGVKIISLVAMTTDDKRIKDIVSHAEGFIYTVTMNATTGQNGAFHPELKRKIESIKAIANVPVVAGFGIRTPQHVADIKEVADGIVIGSEIVKRFKSNTREEIIRYLQSIQQTLNN
Consensus
[pKd Mean = 3.90]
-760
(s=196)
30
(s=6)
MTKLFIPYIMGNKDLIENATLLSENGADIIEIGVPFSDPVADGPVIMEAGQQAIKQGITIDYIFNQLEKHGDQIKCNYVLMTYYNIICHYGEQAFFEKCRDTGVYGLIIPDLPYELSQRLKQQFSHYGVKIISLVAMTTDDKRIKDIVSHAEGFIYTVTMNATTGQNGAFHPELKRKIESIKAIANVPVVAGFGIRTPQHVADIKEVADGIVIGSEIVKRFKSNTREEIIRYLQSIQQTLNN