Study : bsu14300 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: FMT_F_21(1NVJ) / Model_22(1NVJ/F) = [3.1] Download130.3916.89MERFEITKTPINTENIIKKVEKREAGAITTFIGTVREWTNGKRTVRLEYEAYEPMAVQMLAQIGAEIEEKWEGASAAITHRIGVLDIGEAAVVIAVSSPHRKAAYEANEYAIERIKQIVPIWKKEIWEDGEQWIGDQLETTAYPNGKPDLSEGEQHD
Complex: FMT_B_23(1NVJ) / Model_26(1NVJ/B) = [3.2] Download239.3824.88MERFEITKTPINTENIIKKVEKREAGAITTFIGTVREWTNGKRTVRLEYEAYEPMAVQMLAQIGAEIEEKWEGASAAITHRIGVLDIGEAAVVIAVSSPHRKAAYEANEYAIERIKQIVPIWKKEIWEDGEQWIGDQLETTAYPNGKPDLSEGEQHD
Complex: FMT_D_24(1NVJ) / Model_24(1NVJ/D) = [3.2] Download272.2616.42MERFEITKTPINTENIIKKVEKREAGAITTFIGTVREWTNGKRTVRLEYEAYEPMAVQMLAQIGAEIEEKWEGASAAITHRIGVLDIGEAAVVIAVSSPHRKAAYEANEYAIERIKQIVPIWKKEIWEDGEQWIGDQLETTAYPNGKPDLSEGEQHD
Complex: 8CS_H_11(2QIE) / Model_16(2QIE/H) = [4.0] Download1537.1815.85MERFEITKTPINTENIIKKVEKREAGAITTFIGTVREWTNGKRTVRLEYEAYEPMAVQMLAQIGAEIEEKWEGASAAITHRIGVLDIGEAAVVIAVSSPHRKAAYEANEYAIERIKQIVPIWKKEIWEDGEQWIGDQLETTAYPNGKPDLSEGEQHD
Complex: 8CS_K_12(2QIE) / Model_15(2QIE/K) = [4.1] Download1039.2615.85MERFEITKTPINTENIIKKVEKREAGAITTFIGTVREWTNGKRTVRLEYEAYEPMAVQMLAQIGAEIEEKWEGASAAITHRIGVLDIGEAAVVIAVSSPHRKAAYEANEYAIERIKQIVPIWKKEIWEDGEQWIGDQLETTAYPNGKPDLSEGEQHD
Consensus
[pKd Mean = 3.52]
-643
(s=551)
17
(s=3)
MERFEITKTPINTENIIKKVEKREAGAITTFIGTVREWTNGKRTVRLEYEAYEPMAVQMLAQIGAEIEEKWEGASAAITHRIGVLDIGEAAVVIAVSSPHRKAAYEANEYAIERIKQIVPIWKKEIWEDGEQWIGDQLETTAYPNGKPDLSEGEQHD