Study : bsu37090 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: VTB_A_3(5A5L) / Model_8(5A5L/A) = [3.7] Download589.04-3.11MERSLSMELVRVTEAAALASARWMGRGKKDEADEAATSAMRDVFDTVPMKGTVVIGEGEMDEAPMLYIGEKLGNGYGPRVDVAVDPLEGTNILASGGWNALTVIAVADHGTLLNAPDMYMQKIAVGPEAVGCIDIEAPVIDNLKAVAKAKNKDVEDVVATILNRERHAKIISELREAGARIKLINDGDVAGAINTAFDHTGVDILFGSGGAPEGVLSAVALKALGGEIIGKLLPQSEEEITRCHKMGLDLSKVLRMEDLVKGDDAIFAATGVTDGELLKGVQFKGSVGTTESLVIRAKSGTVRFVDGRHSLKKKPNLVIRP
Complex: FBP_A_2(2R8T) / Model_3(2R8T/A) = [4.8] Download826.35-4.32MERSLSMELVRVTEAAALASARWMGRGKKDEADEAATSAMRDVFDTVPMKGTVVIGEGEMDEAPMLYIGEKLGNGYGPRVDVAVDPLEGTNILASGGWNALTVIAVADHGTLLNAPDMYMQKIAVGPEAVGCIDIEAPVIDNLKAVAKAKNKDVEDVVATILNRERHAKIISELREAGARIKLINDGDVAGAINTAFDHTGVDILFGSGGAPEGVLSAVALKALGGEIIGKLLPQSEEEITRCHKMGLDLSKVLRMEDLVKGDDAIFAATGVTDGELLKGVQFKGSVGTTESLVIRAKSGTVRFVDGRHSLKKKPNLVIRP
Complex: FBP_A_2(3D1R) / Model_2(3D1R/A) = [5.2] Download814.27-4.32MERSLSMELVRVTEAAALASARWMGRGKKDEADEAATSAMRDVFDTVPMKGTVVIGEGEMDEAPMLYIGEKLGNGYGPRVDVAVDPLEGTNILASGGWNALTVIAVADHGTLLNAPDMYMQKIAVGPEAVGCIDIEAPVIDNLKAVAKAKNKDVEDVVATILNRERHAKIISELREAGARIKLINDGDVAGAINTAFDHTGVDILFGSGGAPEGVLSAVALKALGGEIIGKLLPQSEEEITRCHKMGLDLSKVLRMEDLVKGDDAIFAATGVTDGELLKGVQFKGSVGTTESLVIRAKSGTVRFVDGRHSLKKKPNLVIRP
Consensus
[pKd Mean = 4.57]
-743
(s=109)
-3
(s=1)
MERSLSMELVRVTEAAALASARWMGRGKKDEADEAATSAMRDVFDTVPMKGTVVIGEGEMDEAPMLYIGEKLGNGYGPRVDVAVDPLEGTNILASGGWNALTVIAVADHGTLLNAPDMYMQKIAVGPEAVGCIDIEAPVIDNLKAVAKAKNKDVEDVVATILNRERHAKIISELREAGARIKLINDGDVAGAINTAFDHTGVDILFGSGGAPEGVLSAVALKALGGEIIGKLLPQSEEEITRCHKMGLDLSKVLRMEDLVKGDDAIFAATGVTDGELLKGVQFKGSVGTTESLVIRAKSGTVRFVDGRHSLKKKPNLVIRP