Study : PA4376 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: GOL_A_4(3OS4) / Model_23(3OS4/A) = [3.1] Download506.5232.83MAESAFSERIVQNLLDTDFYKLTMMQAVLHNYPNAEVEWEFRCRNQEDLRLYLPAIREQLEYLAGLAISDEQLAFLERIPFLAPDFIRFLGLFRFNPRYVQTGIENDEFFLRLKGPWLHVILFEVPLLAMISEVRNRARYPAATVEQARERLQEKFDWLRREASAEELAGFKMADFGTRRRFSYRVHEAVVSGLKEDFPGCFVGTSNVHLARKLDLKPLGTMAHEWLMAHQQLGPRLIDSQSAALDCWVREYRGLLGIALTDCITTDAFLRDFDLYFAKLFDGLRHDSGDPLLWAEKTIAHYLKLGIDPLTKTLVFSDGLDLPRALKIYRALQGRINVSFGIGTHFTCDLPGVEPMNIVVKMSACNGHPVAKISDTPGKAQCRDPDFIHYLKHVFQVA
Complex: NCN_G_7(1YTK) / Model_15(1YTK/A) = [5.3] Download867.814.91MAESAFSERIVQNLLDTDFYKLTMMQAVLHNYPNAEVEWEFRCRNQEDLRLYLPAIREQLEYLAGLAISDEQLAFLERIPFLAPDFIRFLGLFRFNPRYVQTGIENDEFFLRLKGPWLHVILFEVPLLAMISEVRNRARYPAATVEQARERLQEKFDWLRREASAEELAGFKMADFGTRRRFSYRVHEAVVSGLKEDFPGCFVGTSNVHLARKLDLKPLGTMAHEWLMAHQQLGPRLIDSQSAALDCWVREYRGLLGIALTDCITTDAFLRDFDLYFAKLFDGLRHDSGDPLLWAEKTIAHYLKLGIDPLTKTLVFSDGLDLPRALKIYRALQGRINVSFGIGTHFTCDLPGVEPMNIVVKMSACNGHPVAKISDTPGKAQCRDPDFIHYLKHVFQVA
Consensus
[pKd Mean = 4.20]
-687
(s=180)
18
(s=13)
MAESAFSERIVQNLLDTDFYKLTMMQAVLHNYPNAEVEWEFRCRNQEDLRLYLPAIREQLEYLAGLAISDEQLAFLERIPFLAPDFIRFLGLFRFNPRYVQTGIENDEFFLRLKGPWLHVILFEVPLLAMISEVRNRARYPAATVEQARERLQEKFDWLRREASAEELAGFKMADFGTRRRFSYRVHEAVVSGLKEDFPGCFVGTSNVHLARKLDLKPLGTMAHEWLMAHQQLGPRLIDSQSAALDCWVREYRGLLGIALTDCITTDAFLRDFDLYFAKLFDGLRHDSGDPLLWAEKTIAHYLKLGIDPLTKTLVFSDGLDLPRALKIYRALQGRINVSFGIGTHFTCDLPGVEPMNIVVKMSACNGHPVAKISDTPGKAQCRDPDFIHYLKHVFQVA