Study : jhp_0671 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: FS5_A_3(4JC0) / Model_39(4JC0/A) = [6.0] Download811.0922.81MQVKENKQLCLISLGCSKNLVDSEVMLGKLYNYTLTNDAKKADVILINTCGFIESAKQESIQTILNAAKDKKEGAILIASGCLSERYKDEIKELIPEVDIFTGVGDYDKIDILIAKKQNQFSEQVFLSEHYNARIITGSSVHAYVKISEGCNQKCSFCAIPSFKGKLQSRELDSILKEVEDLALKGYKDMTFIAQDSSSFLYDKGQKDGLIQLIRAIDKQQALKSARILYLYPSSTTLELIGAIEDSPIFQNYFDMPIQHISDSMLKKMRRNSSQAHHLKLLNAMKQVKESFIRSTIIVGHPEENESEFEELSAFLDEFRFDRLNIFAFSAEENTHAYSLEKVPKKIINARIKALNKIALKHQNHSFKALLNKPIKALVEHKEGEYFYKARDLRWAPEVDGEILINDSELTTPLKPGHYTIVPSAFKDNILLAKVLSPF
Consensus
[pKd Mean = 6.00]
-811
(s=0)
22
(s=0)
MQVKENKQLCLISLGCSKNLVDSEVMLGKLYNYTLTNDAKKADVILINTCGFIESAKQESIQTILNAAKDKKEGAILIASGCLSERYKDEIKELIPEVDIFTGVGDYDKIDILIAKKQNQFSEQVFLSEHYNARIITGSSVHAYVKISEGCNQKCSFCAIPSFKGKLQSRELDSILKEVEDLALKGYKDMTFIAQDSSSFLYDKGQKDGLIQLIRAIDKQQALKSARILYLYPSSTTLELIGAIEDSPIFQNYFDMPIQHISDSMLKKMRRNSSQAHHLKLLNAMKQVKESFIRSTIIVGHPEENESEFEELSAFLDEFRFDRLNIFAFSAEENTHAYSLEKVPKKIINARIKALNKIALKHQNHSFKALLNKPIKALVEHKEGEYFYKARDLRWAPEVDGEILINDSELTTPLKPGHYTIVPSAFKDNILLAKVLSPF