Study : Lmo1202 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: SIR_A_2(2XWP) / Model_12(2XWP/A) = [11.5] Download2172.4316.00MKKAILVVSFGTSYPETREKTIEACEKRVAHEFPDYTVFRAFTSNKIIKKLKTRDNMHINTPSQALNQLKELGYKEVIIQSLHIISGGEFEKITAQVEKFKPDFDSIIVSQPLLDSMEDYEKAIEAIRHQMPPLKEQEALILMGHGSKHHAFSAYACLDHMLLNEPIYLCAVESYPGLDQVIERLQQADIKKAHLMPFMLVAGDHATNDMASDEENSWKSTLEQAGIQTECHLQGLGENPLIQSQFIDHIHTAIERVKTRG
Complex: SIR_A_2(2XWP) / Model_2(2XWP/A) = [11.5] Download2375.1116.00MKKAILVVSFGTSYPETREKTIEACEKRVAHEFPDYTVFRAFTSNKIIKKLKTRDNMHINTPSQALNQLKELGYKEVIIQSLHIISGGEFEKITAQVEKFKPDFDSIIVSQPLLDSMEDYEKAIEAIRHQMPPLKEQEALILMGHGSKHHAFSAYACLDHMLLNEPIYLCAVESYPGLDQVIERLQQADIKKAHLMPFMLVAGDHATNDMASDEENSWKSTLEQAGIQTECHLQGLGENPLIQSQFIDHIHTAIERVKTRG
Consensus
[pKd Mean = 11.50]
-2273
(s=101)
16
(s=0)
MKKAILVVSFGTSYPETREKTIEACEKRVAHEFPDYTVFRAFTSNKIIKKLKTRDNMHINTPSQALNQLKELGYKEVIIQSLHIISGGEFEKITAQVEKFKPDFDSIIVSQPLLDSMEDYEKAIEAIRHQMPPLKEQEALILMGHGSKHHAFSAYACLDHMLLNEPIYLCAVESYPGLDQVIERLQQADIKKAHLMPFMLVAGDHATNDMASDEENSWKSTLEQAGIQTECHLQGLGENPLIQSQFIDHIHTAIERVKTRG