Study : jhp_0516 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C8_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 C8_S1
Complex: GDP_A_2(2DBY) / Model_67(2DBY/A) = [8.0] Download1276.513.82MGLSVGIVGLPNVGKSSTFNALTKTQNAQSANYPFCTIEPNKAIVNVPDRRLDALAQIVKPERILHSVVEFVDIAGLIKGASKGEGLGNQFLANIKECEVILQVVRCFEDDNITHVNDKIDPLNDIETIELELILADIATLDKRIDRLQKALKSSKDAKNLLECALSLKTHLEELKPAKTFPLNTSEAFLELDKELRFLSHKKMIYVANVGEEDLNILNEHAKKVENHAKVQNSEFVALCAKLEEEMVSMSGDEVKEFLQSLGVEESGLEKTIRLSFKELGLINYFTAGVKEVRSWTIKKGSSAPVAAGVIHKDFEKGFIRAETISYDDFIAYKGEAGAKEKGALRIEGKDYIVQDGDVLHFRFNV
Complex: GDP_A_2(2DBY) / Model_3(2DBY/A) = [8.0] Download1381.423.82MGLSVGIVGLPNVGKSSTFNALTKTQNAQSANYPFCTIEPNKAIVNVPDRRLDALAQIVKPERILHSVVEFVDIAGLIKGASKGEGLGNQFLANIKECEVILQVVRCFEDDNITHVNDKIDPLNDIETIELELILADIATLDKRIDRLQKALKSSKDAKNLLECALSLKTHLEELKPAKTFPLNTSEAFLELDKELRFLSHKKMIYVANVGEEDLNILNEHAKKVENHAKVQNSEFVALCAKLEEEMVSMSGDEVKEFLQSLGVEESGLEKTIRLSFKELGLINYFTAGVKEVRSWTIKKGSSAPVAAGVIHKDFEKGFIRAETISYDDFIAYKGEAGAKEKGALRIEGKDYIVQDGDVLHFRFNV
Consensus
[pKd Mean = 8.00]
-1328
(s=52)
3
(s=0)
MGLSVGIVGLPNVGKSSTFNALTKTQNAQSANYPFCTIEPNKAIVNVPDRRLDALAQIVKPERILHSVVEFVDIAGLIKGASKGEGLGNQFLANIKECEVILQVVRCFEDDNITHVNDKIDPLNDIETIELELILADIATLDKRIDRLQKALKSSKDAKNLLECALSLKTHLEELKPAKTFPLNTSEAFLELDKELRFLSHKKMIYVANVGEEDLNILNEHAKKVENHAKVQNSEFVALCAKLEEEMVSMSGDEVKEFLQSLGVEESGLEKTIRLSFKELGLINYFTAGVKEVRSWTIKKGSSAPVAAGVIHKDFEKGFIRAETISYDDFIAYKGEAGAKEKGALRIEGKDYIVQDGDVLHFRFNV