Study : bsu32000 (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: NAI_C_8(4NBU) / Model_50(4NBU/C) = [8.2] Download1062.8728.06MNAKGIEGKIAFITGAAQGIGEAVARTLASQGAHIAAVDYNPEKLEKVVSSLKAEGRHAEAFPADVRDSAAIDEITARIEREMGPIDILVNVAGVLRPGLIHSLSDEEWEATFSVNSTGVFNASRSVSKYMMDRRSGSIVTVGSNAAGVPRTSMAAYASSKAAAVMFTKCLGLELAEYNIRCNIVSPGSTETDMQWSLWADENGAEQVIKGSLETFKTGIPLKKLAKPSDIADAVLFLVSGQAGHITMHNLCVDGGATLGV
Complex: NAI_A_5(4NBU) / Model_52(4NBU/A) = [10.9] Download1341.8928.06MNAKGIEGKIAFITGAAQGIGEAVARTLASQGAHIAAVDYNPEKLEKVVSSLKAEGRHAEAFPADVRDSAAIDEITARIEREMGPIDILVNVAGVLRPGLIHSLSDEEWEATFSVNSTGVFNASRSVSKYMMDRRSGSIVTVGSNAAGVPRTSMAAYASSKAAAVMFTKCLGLELAEYNIRCNIVSPGSTETDMQWSLWADENGAEQVIKGSLETFKTGIPLKKLAKPSDIADAVLFLVSGQAGHITMHNLCVDGGATLGV
Consensus
[pKd Mean = 9.55]
-1202
(s=139)
28
(s=0)
MNAKGIEGKIAFITGAAQGIGEAVARTLASQGAHIAAVDYNPEKLEKVVSSLKAEGRHAEAFPADVRDSAAIDEITARIEREMGPIDILVNVAGVLRPGLIHSLSDEEWEATFSVNSTGVFNASRSVSKYMMDRRSGSIVTVGSNAAGVPRTSMAAYASSKAAAVMFTKCLGLELAEYNIRCNIVSPGSTETDMQWSLWADENGAEQVIKGSLETFKTGIPLKKLAKPSDIADAVLFLVSGQAGHITMHNLCVDGGATLGV