Study : bsu36490 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: MPD_E_5(1J2R) / Model_43(1J2R/A) = [3.4] Download1092.0826.50MMNTLNIDFQKTALVIIDLQKGIVPIDQSGQVVPNAKKLVDEFRKHNGFISFVNVAFHDGADALKPQTDEPAQGGSGEMPADWAEFVPEIGVQDGDYTVTKRQWGAFFGTDLDLQLRRRGIDTIVLCGIATNIGVESTAREAFQLGYQQIFITDAMSTFSDEEHEATLRFIFPRIGKSRTTEEFLEQVK
Consensus
[pKd Mean = 3.40]
-1092
(s=0)
26
(s=0)
MMNTLNIDFQKTALVIIDLQKGIVPIDQSGQVVPNAKKLVDEFRKHNGFISFVNVAFHDGADALKPQTDEPAQGGSGEMPADWAEFVPEIGVQDGDYTVTKRQWGAFFGTDLDLQLRRRGIDTIVLCGIATNIGVESTAREAFQLGYQQIFITDAMSTFSDEEHEATLRFIFPRIGKSRTTEEFLEQVK