Study : D2PKQ6_KRIFD (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: ADP_A_7(1J7L) / Model_39(1J7L/A) = [5.0] Download913.6732.50MGNVPEAPLADPWLAYFAERGHRDVRRVGAGVEGVVYRLGEGRVAKVWSGRPPAEFELTREVYADLARHPLPFAVPEIFDVEHHEGVLVTYERELPGVSMRADSAQANYERKLPTRDSDALLAVLRGLASVPGTDAMRRLTVQGDDRPLWRDHDDFRDALAALVARAVTRHGAALARCVPDFAAGVERTQKALRSLPDAPVAAIHGDLVPPNIHIDAAGRPVAVLDFGFHTTAGDPAFEAAVTAAIWDMYGPHAAEHTEELTRLCAHELGYAPATLTTYQAAYALTTYDLFGLGDDDGHFRWCAEQLRRNAVFTA
Complex: ADP_A_7(1J7L) / Model_25(1J7L/A) = [6.2] Download980.9118.59MGNVPEAPLADPWLAYFAERGHRDVRRVGAGVEGVVYRLGEGRVAKVWSGRPPAEFELTREVYADLARHPLPFAVPEIFDVEHHEGVLVTYERELPGVSMRADSAQANYERKLPTRDSDALLAVLRGLASVPGTDAMRRLTVQGDDRPLWRDHDDFRDALAALVARAVTRHGAALARCVPDFAAGVERTQKALRSLPDAPVAAIHGDLVPPNIHIDAAGRPVAVLDFGFHTTAGDPAFEAAVTAAIWDMYGPHAAEHTEELTRLCAHELGYAPATLTTYQAAYALTTYDLFGLGDDDGHFRWCAEQLRRNAVFTA
Consensus
[pKd Mean = 5.60]
-947
(s=33)
25
(s=6)
MGNVPEAPLADPWLAYFAERGHRDVRRVGAGVEGVVYRLGEGRVAKVWSGRPPAEFELTREVYADLARHPLPFAVPEIFDVEHHEGVLVTYERELPGVSMRADSAQANYERKLPTRDSDALLAVLRGLASVPGTDAMRRLTVQGDDRPLWRDHDDFRDALAALVARAVTRHGAALARCVPDFAAGVERTQKALRSLPDAPVAAIHGDLVPPNIHIDAAGRPVAVLDFGFHTTAGDPAFEAAVTAAIWDMYGPHAAEHTEELTRLCAHELGYAPATLTTYQAAYALTTYDLFGLGDDDGHFRWCAEQLRRNAVFTA