Study : Rv3174 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: NDP_B_6(4WK6) / Model_23(4WK6/B) = [4.5] Download1685.8116.57MTSLAERTVLVTGANRGMGREYVAQLLGRKVAKVYAATRNPLAIDVSDPRVIPLQLDVTDAVSVAEAADLATDVGILINNAGISRASSVLDKDTSALRGELETNLFGPLALASAFADRIAERSGAIVNVSSVLAWLPLGMSYGVSKAAMWSATESMRIELAPRGVQVVGVYVGLVDTDMGRFADAPKSDPADVVRQVLDGIEAGKEDVLADEMSRQVRASLNVPARERIARLMGN
Complex: NDP_D_8(4WK6) / Model_21(4WK6/D) = [5.6] Download1351.5515.68MTSLAERTVLVTGANRGMGREYVAQLLGRKVAKVYAATRNPLAIDVSDPRVIPLQLDVTDAVSVAEAADLATDVGILINNAGISRASSVLDKDTSALRGELETNLFGPLALASAFADRIAERSGAIVNVSSVLAWLPLGMSYGVSKAAMWSATESMRIELAPRGVQVVGVYVGLVDTDMGRFADAPKSDPADVVRQVLDGIEAGKEDVLADEMSRQVRASLNVPARERIARLMGN
Complex: NDP_A_5(4WK6) / Model_3(4WK6/A) = [6.1] Download1648.7512.23MTSLAERTVLVTGANRGMGREYVAQLLGRKVAKVYAATRNPLAIDVSDPRVIPLQLDVTDAVSVAEAADLATDVGILINNAGISRASSVLDKDTSALRGELETNLFGPLALASAFADRIAERSGAIVNVSSVLAWLPLGMSYGVSKAAMWSATESMRIELAPRGVQVVGVYVGLVDTDMGRFADAPKSDPADVVRQVLDGIEAGKEDVLADEMSRQVRASLNVPARERIARLMGN
Complex: NDP_C_7(4WK6) / Model_22(4WK6/C) = [6.2] Download1507.5717.36MTSLAERTVLVTGANRGMGREYVAQLLGRKVAKVYAATRNPLAIDVSDPRVIPLQLDVTDAVSVAEAADLATDVGILINNAGISRASSVLDKDTSALRGELETNLFGPLALASAFADRIAERSGAIVNVSSVLAWLPLGMSYGVSKAAMWSATESMRIELAPRGVQVVGVYVGLVDTDMGRFADAPKSDPADVVRQVLDGIEAGKEDVLADEMSRQVRASLNVPARERIARLMGN
Complex: NAP_B_19(3RSH) / Model_25(3RSH/B) = [9.0] Download1806.9126.41MTSLAERTVLVTGANRGMGREYVAQLLGRKVAKVYAATRNPLAIDVSDPRVIPLQLDVTDAVSVAEAADLATDVGILINNAGISRASSVLDKDTSALRGELETNLFGPLALASAFADRIAERSGAIVNVSSVLAWLPLGMSYGVSKAAMWSATESMRIELAPRGVQVVGVYVGLVDTDMGRFADAPKSDPADVVRQVLDGIEAGKEDVLADEMSRQVRASLNVPARERIARLMGN
Consensus
[pKd Mean = 6.28]
-1600
(s=156)
17
(s=4)
MTSLAERTVLVTGANRGMGREYVAQLLGRKVAKVYAATRNPLAIDVSDPRVIPLQLDVTDAVSVAEAADLATDVGILINNAGISRASSVLDKDTSALRGELETNLFGPLALASAFADRIAERSGAIVNVSSVLAWLPLGMSYGVSKAAMWSATESMRIELAPRGVQVVGVYVGLVDTDMGRFADAPKSDPADVVRQVLDGIEAGKEDVLADEMSRQVRASLNVPARERIARLMGN