Study : bsu24850 (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: FRU_A_2(3LM9) / Model_16(3LM9/A) = [3.2] Download502.894.79MDEIWFAGIDLGGTTIKLAFINQYGEIQHKWEVPTDKTGDTITVTIAKTIDSKLDELQKPKHIIKYIGMGAPGPVDMAAGVVYETVNLGWKNYALKNHLETETGIPAVIENDANIAALGEMWKGAGDGAKDVILVTLGTGVGGGIIANGEIVHGINGAGGEIGHICSIPEGGAPCNCGKTGCIETIASATGIVRIAKEKIANAKKTTRLKATEQLSARDVFEAAGENDEIALEVVDYVAKHLGLVLGNLASSLNPSKIVLGGGVSRAGELLRSKVEKTFRKCAFPRAAQAADISIAALGNDAGVIGGAWIAKNEWLKHQNC
Complex: BGC_A_2(3VGM) / Model_4(3VGM/A) = [3.4] Download558.271.33MDEIWFAGIDLGGTTIKLAFINQYGEIQHKWEVPTDKTGDTITVTIAKTIDSKLDELQKPKHIIKYIGMGAPGPVDMAAGVVYETVNLGWKNYALKNHLETETGIPAVIENDANIAALGEMWKGAGDGAKDVILVTLGTGVGGGIIANGEIVHGINGAGGEIGHICSIPEGGAPCNCGKTGCIETIASATGIVRIAKEKIANAKKTTRLKATEQLSARDVFEAAGENDEIALEVVDYVAKHLGLVLGNLASSLNPSKIVLGGGVSRAGELLRSKVEKTFRKCAFPRAAQAADISIAALGNDAGVIGGAWIAKNEWLKHQNC
Consensus
[pKd Mean = 3.30]
-530
(s=27)
3
(s=1)
MDEIWFAGIDLGGTTIKLAFINQYGEIQHKWEVPTDKTGDTITVTIAKTIDSKLDELQKPKHIIKYIGMGAPGPVDMAAGVVYETVNLGWKNYALKNHLETETGIPAVIENDANIAALGEMWKGAGDGAKDVILVTLGTGVGGGIIANGEIVHGINGAGGEIGHICSIPEGGAPCNCGKTGCIETIASATGIVRIAKEKIANAKKTTRLKATEQLSARDVFEAAGENDEIALEVVDYVAKHLGLVLGNLASSLNPSKIVLGGGVSRAGELLRSKVEKTFRKCAFPRAAQAADISIAALGNDAGVIGGAWIAKNEWLKHQNC