Study : T0707 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_S1
Best Complexes choosen after comparative docking [Kd < -3] : 3 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: UD2_E_5(1SB8) / Model_19(1SB8/A) = [-5.5] Download--METNNRRDFLKKAALAGASALVAPSLFAADGEGRGELSPKIKAGDLESKLIVPKNNGLKITGTFLDEISHDIPHQNWGEKEWDLDFQHMKRIGIDTVIMIRSGYRKFMTYPSPYLLKKGCYMPSVDLVDMYLRLAEKYNMKFYFGLYDSGRYWDTGDLSWEIEDNKYVIDEVWKMYGEKYKSFGGWYISGEISRATKGAIDAFRAMGKQCKDISNGLPTFISPWIDGKKAIMGTGKLTREDAVSVQQHEKEWNEIFDGIHEVVDACAFQDGHIDYDELDAFFTVNKKLADKYGMQCWTNAESFDRDMPIRFLPIKFDKLRMKLEAAKRAGYDKAITFEFSHFMSPQSAYLQAGHLYDRYREYFEIK
Complex: NAD_F_6(1KEP) / Model_19(1SB8/A) = [-5.3] Download--METNNRRDFLKKAALAGASALVAPSLFAADGEGRGELSPKIKAGDLESKLIVPKNNGLKITGTFLDEISHDIPHQNWGEKEWDLDFQHMKRIGIDTVIMIRSGYRKFMTYPSPYLLKKGCYMPSVDLVDMYLRLAEKYNMKFYFGLYDSGRYWDTGDLSWEIEDNKYVIDEVWKMYGEKYKSFGGWYISGEISRATKGAIDAFRAMGKQCKDISNGLPTFISPWIDGKKAIMGTGKLTREDAVSVQQHEKEWNEIFDGIHEVVDACAFQDGHIDYDELDAFFTVNKKLADKYGMQCWTNAESFDRDMPIRFLPIKFDKLRMKLEAAKRAGYDKAITFEFSHFMSPQSAYLQAGHLYDRYREYFEIK
Complex: TDX_H_8(1KEP) / Model_19(1SB8/A) = [-3.3] Download--METNNRRDFLKKAALAGASALVAPSLFAADGEGRGELSPKIKAGDLESKLIVPKNNGLKITGTFLDEISHDIPHQNWGEKEWDLDFQHMKRIGIDTVIMIRSGYRKFMTYPSPYLLKKGCYMPSVDLVDMYLRLAEKYNMKFYFGLYDSGRYWDTGDLSWEIEDNKYVIDEVWKMYGEKYKSFGGWYISGEISRATKGAIDAFRAMGKQCKDISNGLPTFISPWIDGKKAIMGTGKLTREDAVSVQQHEKEWNEIFDGIHEVVDACAFQDGHIDYDELDAFFTVNKKLADKYGMQCWTNAESFDRDMPIRFLPIKFDKLRMKLEAAKRAGYDKAITFEFSHFMSPQSAYLQAGHLYDRYREYFEIK
Consensus
[Kd Mean = -4.70]
-0
(s=0)
0
(s=0)
METNNRRDFLKKAALAGASALVAPSLFAADGEGRGELSPKIKAGDLESKLIVPKNNGLKITGTFLDEISHDIPHQNWGEKEWDLDFQHMKRIGIDTVIMIRSGYRKFMTYPSPYLLKKGCYMPSVDLVDMYLRLAEKYNMKFYFGLYDSGRYWDTGDLSWEIEDNKYVIDEVWKMYGEKYKSFGGWYISGEISRATKGAIDAFRAMGKQCKDISNGLPTFISPWIDGKKAIMGTGKLTREDAVSVQQHEKEWNEIFDGIHEVVDACAFQDGHIDYDELDAFFTVNKKLADKYGMQCWTNAESFDRDMPIRFLPIKFDKLRMKLEAAKRAGYDKAITFEFSHFMSPQSAYLQAGHLYDRYREYFEIK