Study : PA4728 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: B55_B_4(3QBC) / Model_64(3QBC/A) = [3.1] Download454.7665.00MIQRVYVALGSNLAEPREQIQAALDAFERLPETRLVAVSPLYISDPLGPADQPRFVNGVAALDTNLAPLDLLDALQAIELEQGRVRDLRWGPRTLDLDILLFGEQLLDLPRLKVPHYHMQARAFVLYPLADLAPDLRLPDGRHLPELLAACPFEGIERLPGA
Complex: B55_B_4(3QBC) / Model_63(3QBC/B) = [3.2] Download789.0327.80MIQRVYVALGSNLAEPREQIQAALDAFERLPETRLVAVSPLYISDPLGPADQPRFVNGVAALDTNLAPLDLLDALQAIELEQGRVRDLRWGPRTLDLDILLFGEQLLDLPRLKVPHYHMQARAFVLYPLADLAPDLRLPDGRHLPELLAACPFEGIERLPGA
Complex: EDO_A_4(3UD5) / Model_20(3UD5/A) = [3.3] Download239.1819.85MIQRVYVALGSNLAEPREQIQAALDAFERLPETRLVAVSPLYISDPLGPADQPRFVNGVAALDTNLAPLDLLDALQAIELEQGRVRDLRWGPRTLDLDILLFGEQLLDLPRLKVPHYHMQARAFVLYPLADLAPDLRLPDGRHLPELLAACPFEGIERLPGA
Complex: EDO_A_3(3UD5) / Model_20(3UD5/A) = [3.3] Download202.076.12MIQRVYVALGSNLAEPREQIQAALDAFERLPETRLVAVSPLYISDPLGPADQPRFVNGVAALDTNLAPLDLLDALQAIELEQGRVRDLRWGPRTLDLDILLFGEQLLDLPRLKVPHYHMQARAFVLYPLADLAPDLRLPDGRHLPELLAACPFEGIERLPGA
Complex: B55_A_3(3QBC) / Model_63(3QBC/B) = [3.3] Download495.3656.50MIQRVYVALGSNLAEPREQIQAALDAFERLPETRLVAVSPLYISDPLGPADQPRFVNGVAALDTNLAPLDLLDALQAIELEQGRVRDLRWGPRTLDLDILLFGEQLLDLPRLKVPHYHMQARAFVLYPLADLAPDLRLPDGRHLPELLAACPFEGIERLPGA
Consensus
[pKd Mean = 3.24]
-436
(s=210)
35
(s=22)
MIQRVYVALGSNLAEPREQIQAALDAFERLPETRLVAVSPLYISDPLGPADQPRFVNGVAALDTNLAPLDLLDALQAIELEQGRVRDLRWGPRTLDLDILLFGEQLLDLPRLKVPHYHMQARAFVLYPLADLAPDLRLPDGRHLPELLAACPFEGIERLPGA