Study : SA0589 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADP_A_5(1YQT) / Model_3(1YQT/A) = [4.6] Download590.83-9.17MLETKDLNLFLGNKHVLKNISLSIPVRGEIIGIMGPNGAGKSSLIKSLIGEFNATGTKLLYNKPIQQQLQHITYIPQKAHIDLDFPISVEQVILSGCYKEIGWFRRPNKSARDKLKQLLSDLELESLRHRQISELSGGQLQRVLVARALMSESEVYFLDEPFVGIDFSSEKLIMTKIENLKQQGKLILIIHHDLSKAKQYFDRIILLNQTLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC
Complex: ATP_A_3(2CBZ) / Model_22(2CBZ/A) = [5.8] Download756.524.29MLETKDLNLFLGNKHVLKNISLSIPVRGEIIGIMGPNGAGKSSLIKSLIGEFNATGTKLLYNKPIQQQLQHITYIPQKAHIDLDFPISVEQVILSGCYKEIGWFRRPNKSARDKLKQLLSDLELESLRHRQISELSGGQLQRVLVARALMSESEVYFLDEPFVGIDFSSEKLIMTKIENLKQQGKLILIIHHDLSKAKQYFDRIILLNQTLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC
Consensus
[pKd Mean = 5.20]
-673
(s=82)
-2
(s=6)
MLETKDLNLFLGNKHVLKNISLSIPVRGEIIGIMGPNGAGKSSLIKSLIGEFNATGTKLLYNKPIQQQLQHITYIPQKAHIDLDFPISVEQVILSGCYKEIGWFRRPNKSARDKLKQLLSDLELESLRHRQISELSGGQLQRVLVARALMSESEVYFLDEPFVGIDFSSEKLIMTKIENLKQQGKLILIIHHDLSKAKQYFDRIILLNQTLRYFGDSEEAMSVTRLNETFMSSTDCSDPSQRSNITC