Study : SA1914 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: URA_A_16(1BD4) / Model_39(1BD4/A) = [3.2] Download625.3829.13MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPVTKMTAKRLAGKKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRDPETLKAVEYFAKLPQDITERQIIVVDPMLATGASAIEAITSLKKRGAKNIRFMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK
Complex: URA_A_17(1JLS) / Model_33(1JLS/A) = [3.3] Download416.3021.44MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPVTKMTAKRLAGKKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRDPETLKAVEYFAKLPQDITERQIIVVDPMLATGASAIEAITSLKKRGAKNIRFMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK
Complex: HSX_B_11(3G6W) / Model_51(3G6W/B) = [3.3] Download755.1824.89MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPVTKMTAKRLAGKKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRDPETLKAVEYFAKLPQDITERQIIVVDPMLATGASAIEAITSLKKRGAKNIRFMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK
Complex: HSX_C_13(3G6W) / Model_50(3G6W/C) = [3.5] Download744.1532.15MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPVTKMTAKRLAGKKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRDPETLKAVEYFAKLPQDITERQIIVVDPMLATGASAIEAITSLKKRGAKNIRFMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK
Complex: URA_C_14(1BD4) / Model_37(1BD4/C) = [3.9] Download571.0323.00MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPVTKMTAKRLAGKKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRDPETLKAVEYFAKLPQDITERQIIVVDPMLATGASAIEAITSLKKRGAKNIRFMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK
Consensus
[pKd Mean = 3.44]
-622
(s=124)
26
(s=3)
MSKVHVFDHPLIQHKLSYIRDVNTGTKEFRELVDEVGMLMAYEVTRDLELQDVDIETPVTKMTAKRLAGKKLAIVPILRAGLGMTDGILSLVPAARVGHIGLYRDPETLKAVEYFAKLPQDITERQIIVVDPMLATGASAIEAITSLKKRGAKNIRFMCLIAAPEGVEKMHEAHPDVDIYIAALDEKLNDKAYITPGLGDAGDRLFGTK