Study : bsu23270 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: INI_C_8(4GQN) / Model_21(4GQN/C) = [4.9] Download454.1719.81MFTGIIEETGTIESMKKAGHAMALTIKCSKILEDVHLGDSIAVNGICLTVTDFTKNQFTVDVMPETVKATSLNDLTKGSKVNLERAMAANGRFGGHFVSGHVDGTAEITRIEEKSNAVYYDLKMDPSLTKTLVLKGSITVDGVSLTIFGLTEDTVTISLIPHTISETIFSEKTIGSKVNIECDMIGKYMYRFLHKANENKTQQTITKAFLSENGF
Complex: INI_B_6(4GQN) / Model_22(4GQN/B) = [5.0] Download934.8513.44MFTGIIEETGTIESMKKAGHAMALTIKCSKILEDVHLGDSIAVNGICLTVTDFTKNQFTVDVMPETVKATSLNDLTKGSKVNLERAMAANGRFGGHFVSGHVDGTAEITRIEEKSNAVYYDLKMDPSLTKTLVLKGSITVDGVSLTIFGLTEDTVTISLIPHTISETIFSEKTIGSKVNIECDMIGKYMYRFLHKANENKTQQTITKAFLSENGF
Complex: RBF_A_4(4E0F) / Model_2(4E0F/A) = [5.0] Download934.9219.71MFTGIIEETGTIESMKKAGHAMALTIKCSKILEDVHLGDSIAVNGICLTVTDFTKNQFTVDVMPETVKATSLNDLTKGSKVNLERAMAANGRFGGHFVSGHVDGTAEITRIEEKSNAVYYDLKMDPSLTKTLVLKGSITVDGVSLTIFGLTEDTVTISLIPHTISETIFSEKTIGSKVNIECDMIGKYMYRFLHKANENKTQQTITKAFLSENGF
Complex: RS3_C_7(4G6I) / Model_23(4G6I/C) = [5.5] Download947.8325.32MFTGIIEETGTIESMKKAGHAMALTIKCSKILEDVHLGDSIAVNGICLTVTDFTKNQFTVDVMPETVKATSLNDLTKGSKVNLERAMAANGRFGGHFVSGHVDGTAEITRIEEKSNAVYYDLKMDPSLTKTLVLKGSITVDGVSLTIFGLTEDTVTISLIPHTISETIFSEKTIGSKVNIECDMIGKYMYRFLHKANENKTQQTITKAFLSENGF
Complex: CRM_A_4(1KZL) / Model_1(1KZL/A) = [6.0] Download1176.7924.00MFTGIIEETGTIESMKKAGHAMALTIKCSKILEDVHLGDSIAVNGICLTVTDFTKNQFTVDVMPETVKATSLNDLTKGSKVNLERAMAANGRFGGHFVSGHVDGTAEITRIEEKSNAVYYDLKMDPSLTKTLVLKGSITVDGVSLTIFGLTEDTVTISLIPHTISETIFSEKTIGSKVNIECDMIGKYMYRFLHKANENKTQQTITKAFLSENGF
Consensus
[pKd Mean = 5.28]
-889
(s=236)
20
(s=4)
MFTGIIEETGTIESMKKAGHAMALTIKCSKILEDVHLGDSIAVNGICLTVTDFTKNQFTVDVMPETVKATSLNDLTKGSKVNLERAMAANGRFGGHFVSGHVDGTAEITRIEEKSNAVYYDLKMDPSLTKTLVLKGSITVDGVSLTIFGLTEDTVTISLIPHTISETIFSEKTIGSKVNIECDMIGKYMYRFLHKANENKTQQTITKAFLSENGF