Study : jhp_0855 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: GOL_O_6(3PFW) / Model_88(3PFW/O) = [3.2] Download641.82-10.11MKIFINGFGRIGRCVLRAILERNDTNPQLEVIGINDPANWEILAYLLEHDSTHGLLNKEVRYSNGKLIIGSLEIPVFNSIKDLKGVGVIIECSGKFLEPKTLENYLLLGAKKVLLSAPFMGEYDEKQYPTLVYGVNHFLYQNQAIVSNASCTTNAIAPICAILDKAFSIKEGMLTTIHSYTSDQKLIDLAHPLDKRRSRAAASNIIPTTTKAALALHKVLPNLKNKMHGHSVRVPSLDVSMIDLSLFLEKKALKDPINDLLITASKGTLKGVLEIDLKERVSSDFISNPNSVIIAPDLTFTLENMVKIMGWYDNEWGYSNRLVDMAQFMYHY
Complex: CHAIN_C_3(3ZDF) / Model_70(3ZDF/B) = [3.6] Download--MKIFINGFGRIGRCVLRAILERNDTNPQLEVIGINDPANWEILAYLLEHDSTHGLLNKEVRYSNGKLIIGSLEIPVFNSIKDLKGVGVIIECSGKFLEPKTLENYLLLGAKKVLLSAPFMGEYDEKQYPTLVYGVNHFLYQNQAIVSNASCTTNAIAPICAILDKAFSIKEGMLTTIHSYTSDQKLIDLAHPLDKRRSRAAASNIIPTTTKAALALHKVLPNLKNKMHGHSVRVPSLDVSMIDLSLFLEKKALKDPINDLLITASKGTLKGVLEIDLKERVSSDFISNPNSVIIAPDLTFTLENMVKIMGWYDNEWGYSNRLVDMAQFMYHY
Complex: CHAIN_D_4(3ZDF) / Model_20(3ZDF/A) = [3.8] Download--MKIFINGFGRIGRCVLRAILERNDTNPQLEVIGINDPANWEILAYLLEHDSTHGLLNKEVRYSNGKLIIGSLEIPVFNSIKDLKGVGVIIECSGKFLEPKTLENYLLLGAKKVLLSAPFMGEYDEKQYPTLVYGVNHFLYQNQAIVSNASCTTNAIAPICAILDKAFSIKEGMLTTIHSYTSDQKLIDLAHPLDKRRSRAAASNIIPTTTKAALALHKVLPNLKNKMHGHSVRVPSLDVSMIDLSLFLEKKALKDPINDLLITASKGTLKGVLEIDLKERVSSDFISNPNSVIIAPDLTFTLENMVKIMGWYDNEWGYSNRLVDMAQFMYHY
Complex: NAD_R_10(1GPD) / Model_67(1GPD/R) = [4.1] Download1584.014.91MKIFINGFGRIGRCVLRAILERNDTNPQLEVIGINDPANWEILAYLLEHDSTHGLLNKEVRYSNGKLIIGSLEIPVFNSIKDLKGVGVIIECSGKFLEPKTLENYLLLGAKKVLLSAPFMGEYDEKQYPTLVYGVNHFLYQNQAIVSNASCTTNAIAPICAILDKAFSIKEGMLTTIHSYTSDQKLIDLAHPLDKRRSRAAASNIIPTTTKAALALHKVLPNLKNKMHGHSVRVPSLDVSMIDLSLFLEKKALKDPINDLLITASKGTLKGVLEIDLKERVSSDFISNPNSVIIAPDLTFTLENMVKIMGWYDNEWGYSNRLVDMAQFMYHY
Complex: NAD_G_9(1GPD) / Model_18(1GPD/G) = [6.1] Download1855.487.74MKIFINGFGRIGRCVLRAILERNDTNPQLEVIGINDPANWEILAYLLEHDSTHGLLNKEVRYSNGKLIIGSLEIPVFNSIKDLKGVGVIIECSGKFLEPKTLENYLLLGAKKVLLSAPFMGEYDEKQYPTLVYGVNHFLYQNQAIVSNASCTTNAIAPICAILDKAFSIKEGMLTTIHSYTSDQKLIDLAHPLDKRRSRAAASNIIPTTTKAALALHKVLPNLKNKMHGHSVRVPSLDVSMIDLSLFLEKKALKDPINDLLITASKGTLKGVLEIDLKERVSSDFISNPNSVIIAPDLTFTLENMVKIMGWYDNEWGYSNRLVDMAQFMYHY
Consensus
[pKd Mean = 4.16]
-1360
(s=520)
0
(s=7)
MKIFINGFGRIGRCVLRAILERNDTNPQLEVIGINDPANWEILAYLLEHDSTHGLLNKEVRYSNGKLIIGSLEIPVFNSIKDLKGVGVIIECSGKFLEPKTLENYLLLGAKKVLLSAPFMGEYDEKQYPTLVYGVNHFLYQNQAIVSNASCTTNAIAPICAILDKAFSIKEGMLTTIHSYTSDQKLIDLAHPLDKRRSRAAASNIIPTTTKAALALHKVLPNLKNKMHGHSVRVPSLDVSMIDLSLFLEKKALKDPINDLLITASKGTLKGVLEIDLKERVSSDFISNPNSVIIAPDLTFTLENMVKIMGWYDNEWGYSNRLVDMAQFMYHY