Study : Lmo0032 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: BMX_A_2(2YI1) / Model_7(2YI1/A) = [3.6] Download758.645.59LDIQESVIGIDLGGTKILIGEVTKDGEVLNSKSYPSNTENQTKATETLLKVLADYTQNIGFIAPKQTGIGVGLVGRVDHKSGVWLEIEPGKSNPTPLAGILEAKTGLPVSLGNDVVCATMAEKQFGWGRETNDFIYLNVGTGLAAGFVVDGRITQGGHFNAGEVGHAVVDIHSDVLCGCGRRGCVERLASGLGIKEEALRHLNSYPTSILAETQTELTGKMVLHAAEQKDELAEKIIDNATFQLANLIMNLVRTTDPECVILGGGVTRNEHFFQKIQDNLQSNTIRFVTKGVVRSKLEKDKVGLIGAAVIGMRLGNEGGKE
Complex: BM3_A_2(2YHY) / Model_6(2YHY/A) = [3.7] Download576.365.92LDIQESVIGIDLGGTKILIGEVTKDGEVLNSKSYPSNTENQTKATETLLKVLADYTQNIGFIAPKQTGIGVGLVGRVDHKSGVWLEIEPGKSNPTPLAGILEAKTGLPVSLGNDVVCATMAEKQFGWGRETNDFIYLNVGTGLAAGFVVDGRITQGGHFNAGEVGHAVVDIHSDVLCGCGRRGCVERLASGLGIKEEALRHLNSYPTSILAETQTELTGKMVLHAAEQKDELAEKIIDNATFQLANLIMNLVRTTDPECVILGGGVTRNEHFFQKIQDNLQSNTIRFVTKGVVRSKLEKDKVGLIGAAVIGMRLGNEGGKE
Complex: BGC_A_4(3VGL) / Model_10(3VGL/A) = [5.5] Download332.76-3.14LDIQESVIGIDLGGTKILIGEVTKDGEVLNSKSYPSNTENQTKATETLLKVLADYTQNIGFIAPKQTGIGVGLVGRVDHKSGVWLEIEPGKSNPTPLAGILEAKTGLPVSLGNDVVCATMAEKQFGWGRETNDFIYLNVGTGLAAGFVVDGRITQGGHFNAGEVGHAVVDIHSDVLCGCGRRGCVERLASGLGIKEEALRHLNSYPTSILAETQTELTGKMVLHAAEQKDELAEKIIDNATFQLANLIMNLVRTTDPECVILGGGVTRNEHFFQKIQDNLQSNTIRFVTKGVVRSKLEKDKVGLIGAAVIGMRLGNEGGKE
Consensus
[pKd Mean = 4.27]
-555
(s=174)
2
(s=4)
LDIQESVIGIDLGGTKILIGEVTKDGEVLNSKSYPSNTENQTKATETLLKVLADYTQNIGFIAPKQTGIGVGLVGRVDHKSGVWLEIEPGKSNPTPLAGILEAKTGLPVSLGNDVVCATMAEKQFGWGRETNDFIYLNVGTGLAAGFVVDGRITQGGHFNAGEVGHAVVDIHSDVLCGCGRRGCVERLASGLGIKEEALRHLNSYPTSILAETQTELTGKMVLHAAEQKDELAEKIIDNATFQLANLIMNLVRTTDPECVILGGGVTRNEHFFQKIQDNLQSNTIRFVTKGVVRSKLEKDKVGLIGAAVIGMRLGNEGGKE