Study : Wbm0238 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ALA_A_2(4CVK) / Model_1(4CVK/A) = [3.5] Download7267.0233.83MFEWNTNNIIDATGGRGKSGCHNLNISTDTRNIKKGDLFIALKGKNFDGHDFLHEAFLKGAAAAVVSEDKYRNLPVIVVQDTLKALHDMASYYIRNVLVNAEVIAITGSVGKTTTKDMLHTVLSQYGVSHVNDGNLNNNIGLPLTILKAPENCRYLILEMGMNKAGEIKELSKISNPNIAVITNIEPVHVENFSSLFDIAQAKLEILYGVKNNGTLILNKDNKYYDYLLSHVDRDVVSFGRSESATVCLLNVIKNDKGLNLKIRLNNNQIMNCNLCVQGKHFVYSVLAVVAVIQNLGLNLSKLPLALENFNITKGRGSVHKAKYNGKCIHLIDDSYNASPASMKAAIRTLGIYSNRRKVALLGDMLELGNKSITFHMKLLDSIVKYDVDKVYTVGKFMLKLHRLLPGNIKGTHFNDSNQLKSNLANIVQNNDVVLVKGSRGVKMDFIVQGFIIEY
Complex: 1LG_A_2(2AM1) / Model_6(2AM1/A) = [5.5] Download1212.2712.94MFEWNTNNIIDATGGRGKSGCHNLNISTDTRNIKKGDLFIALKGKNFDGHDFLHEAFLKGAAAAVVSEDKYRNLPVIVVQDTLKALHDMASYYIRNVLVNAEVIAITGSVGKTTTKDMLHTVLSQYGVSHVNDGNLNNNIGLPLTILKAPENCRYLILEMGMNKAGEIKELSKISNPNIAVITNIEPVHVENFSSLFDIAQAKLEILYGVKNNGTLILNKDNKYYDYLLSHVDRDVVSFGRSESATVCLLNVIKNDKGLNLKIRLNNNQIMNCNLCVQGKHFVYSVLAVVAVIQNLGLNLSKLPLALENFNITKGRGSVHKAKYNGKCIHLIDDSYNASPASMKAAIRTLGIYSNRRKVALLGDMLELGNKSITFHMKLLDSIVKYDVDKVYTVGKFMLKLHRLLPGNIKGTHFNDSNQLKSNLANIVQNNDVVLVKGSRGVKMDFIVQGFIIEY
Complex: 2LG_A_2(2AM2) / Model_7(2AM2/A) = [5.6] Download1251.6212.94MFEWNTNNIIDATGGRGKSGCHNLNISTDTRNIKKGDLFIALKGKNFDGHDFLHEAFLKGAAAAVVSEDKYRNLPVIVVQDTLKALHDMASYYIRNVLVNAEVIAITGSVGKTTTKDMLHTVLSQYGVSHVNDGNLNNNIGLPLTILKAPENCRYLILEMGMNKAGEIKELSKISNPNIAVITNIEPVHVENFSSLFDIAQAKLEILYGVKNNGTLILNKDNKYYDYLLSHVDRDVVSFGRSESATVCLLNVIKNDKGLNLKIRLNNNQIMNCNLCVQGKHFVYSVLAVVAVIQNLGLNLSKLPLALENFNITKGRGSVHKAKYNGKCIHLIDDSYNASPASMKAAIRTLGIYSNRRKVALLGDMLELGNKSITFHMKLLDSIVKYDVDKVYTVGKFMLKLHRLLPGNIKGTHFNDSNQLKSNLANIVQNNDVVLVKGSRGVKMDFIVQGFIIEY
Complex: UDP_A_3(4CVK) / Model_1(4CVK/A) = [6.3] Download1025.897.25MFEWNTNNIIDATGGRGKSGCHNLNISTDTRNIKKGDLFIALKGKNFDGHDFLHEAFLKGAAAAVVSEDKYRNLPVIVVQDTLKALHDMASYYIRNVLVNAEVIAITGSVGKTTTKDMLHTVLSQYGVSHVNDGNLNNNIGLPLTILKAPENCRYLILEMGMNKAGEIKELSKISNPNIAVITNIEPVHVENFSSLFDIAQAKLEILYGVKNNGTLILNKDNKYYDYLLSHVDRDVVSFGRSESATVCLLNVIKNDKGLNLKIRLNNNQIMNCNLCVQGKHFVYSVLAVVAVIQNLGLNLSKLPLALENFNITKGRGSVHKAKYNGKCIHLIDDSYNASPASMKAAIRTLGIYSNRRKVALLGDMLELGNKSITFHMKLLDSIVKYDVDKVYTVGKFMLKLHRLLPGNIKGTHFNDSNQLKSNLANIVQNNDVVLVKGSRGVKMDFIVQGFIIEY
Complex: ANP_A_6(4CVM) / Model_2(4CVM/A) = [6.5] Download1763.4011.29MFEWNTNNIIDATGGRGKSGCHNLNISTDTRNIKKGDLFIALKGKNFDGHDFLHEAFLKGAAAAVVSEDKYRNLPVIVVQDTLKALHDMASYYIRNVLVNAEVIAITGSVGKTTTKDMLHTVLSQYGVSHVNDGNLNNNIGLPLTILKAPENCRYLILEMGMNKAGEIKELSKISNPNIAVITNIEPVHVENFSSLFDIAQAKLEILYGVKNNGTLILNKDNKYYDYLLSHVDRDVVSFGRSESATVCLLNVIKNDKGLNLKIRLNNNQIMNCNLCVQGKHFVYSVLAVVAVIQNLGLNLSKLPLALENFNITKGRGSVHKAKYNGKCIHLIDDSYNASPASMKAAIRTLGIYSNRRKVALLGDMLELGNKSITFHMKLLDSIVKYDVDKVYTVGKFMLKLHRLLPGNIKGTHFNDSNQLKSNLANIVQNNDVVLVKGSRGVKMDFIVQGFIIEY
Consensus
[pKd Mean = 5.48]
-2504
(s=2394)
15
(s=9)
MFEWNTNNIIDATGGRGKSGCHNLNISTDTRNIKKGDLFIALKGKNFDGHDFLHEAFLKGAAAAVVSEDKYRNLPVIVVQDTLKALHDMASYYIRNVLVNAEVIAITGSVGKTTTKDMLHTVLSQYGVSHVNDGNLNNNIGLPLTILKAPENCRYLILEMGMNKAGEIKELSKISNPNIAVITNIEPVHVENFSSLFDIAQAKLEILYGVKNNGTLILNKDNKYYDYLLSHVDRDVVSFGRSESATVCLLNVIKNDKGLNLKIRLNNNQIMNCNLCVQGKHFVYSVLAVVAVIQNLGLNLSKLPLALENFNITKGRGSVHKAKYNGKCIHLIDDSYNASPASMKAAIRTLGIYSNRRKVALLGDMLELGNKSITFHMKLLDSIVKYDVDKVYTVGKFMLKLHRLLPGNIKGTHFNDSNQLKSNLANIVQNNDVVLVKGSRGVKMDFIVQGFIIEY