Study : bsu10260 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: NAP_A_2(3E8X) / Model_1(3E8X/A) = [11.1] Download1748.2929.93MKVFLIGANGQIGQRLVSLFQDNPDHSIRAMVRKEEQKASLEAAGAEAVLANLEGSPEEIAAAAKGCDAIIFTAGSGGSTGYDKTLLVDLDGAAKAIEAAAIAGIKRFIMVSALQAHNRENWNEALKPYYVAKHYADKILEASGLTYTIIRPGGLRNEPGTGTVSAAKDLERGFISRDDVAKTVIASLDEKNTENRAFDLTEGDTPIAEALKKL
Complex: NAP_A_2(3E8X) / Model_41(3E8X/A) = [11.1] Download2043.1630.37MKVFLIGANGQIGQRLVSLFQDNPDHSIRAMVRKEEQKASLEAAGAEAVLANLEGSPEEIAAAAKGCDAIIFTAGSGGSTGYDKTLLVDLDGAAKAIEAAAIAGIKRFIMVSALQAHNRENWNEALKPYYVAKHYADKILEASGLTYTIIRPGGLRNEPGTGTVSAAKDLERGFISRDDVAKTVIASLDEKNTENRAFDLTEGDTPIAEALKKL
Consensus
[pKd Mean = 11.10]
-1895
(s=147)
30
(s=0)
MKVFLIGANGQIGQRLVSLFQDNPDHSIRAMVRKEEQKASLEAAGAEAVLANLEGSPEEIAAAAKGCDAIIFTAGSGGSTGYDKTLLVDLDGAAKAIEAAAIAGIKRFIMVSALQAHNRENWNEALKPYYVAKHYADKILEASGLTYTIIRPGGLRNEPGTGTVSAAKDLERGFISRDDVAKTVIASLDEKNTENRAFDLTEGDTPIAEALKKL