Study : bsu21050 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C9_S1
Complex: NACID_E_3(1IHF) / Model_35(1IHF/B) = [3.1] Download--MNKTELIAKVAEKQGVSKKEGAPSVEKVFDTISEALKSGEKVSIPGFGTFEVRERAARKGRNPQTGEEIDIPATKAPAFKPAKALKDAVKAK
Complex: NACID_E_3(1OWF) / Model_31(1OWF/B) = [3.1] Download--MNKTELIAKVAEKQGVSKKEGAPSVEKVFDTISEALKSGEKVSIPGFGTFEVRERAARKGRNPQTGEEIDIPATKAPAFKPAKALKDAVKAK
Complex: NACID_E_3(1OWF) / Model_47(1OWF/B) = [3.1] Download--MNKTELIAKVAEKQGVSKKEGAPSVEKVFDTISEALKSGEKVSIPGFGTFEVRERAARKGRNPQTGEEIDIPATKAPAFKPAKALKDAVKAK
Complex: NACID_E_3(2IIE) / Model_60(2IIE/A) = [3.5] Download--MNKTELIAKVAEKQGVSKKEGAPSVEKVFDTISEALKSGEKVSIPGFGTFEVRERAARKGRNPQTGEEIDIPATKAPAFKPAKALKDAVKAK
Complex: NACID_F_2(1P51) / Model_10(1P51/A) = [4.2] Download--MNKTELIAKVAEKQGVSKKEGAPSVEKVFDTISEALKSGEKVSIPGFGTFEVRERAARKGRNPQTGEEIDIPATKAPAFKPAKALKDAVKAK
Consensus
[pKd Mean = 3.40]
-0
(s=0)
0
(s=0)
MNKTELIAKVAEKQGVSKKEGAPSVEKVFDTISEALKSGEKVSIPGFGTFEVRERAARKGRNPQTGEEIDIPATKAPAFKPAKALKDAVKAK