Study : Lmo2075 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: AMP_A_4(3WUH) / Model_9(3WUH/A) = [4.8] Download1009.8811.87VGGLMKKNTLILGIESSCDETAASVVKNGNEIISSVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEALKQANVTMDDLDGVAVTEGPGLVGALLIGVNAAKTLAFMHNLPLVGVHHIAGHIYANRFETEFKFPLLSLVVSGGHTELVLMKADNEFEIIGETRDDAAGEAYDKVARTLGLAYPGGVQIDKLAKDGEDTFHFPRAMMDEGSFDFSFSGLKSSFINTLHNLRQRGEEPNPNDMAASFQASVVDVLVSKTIRAAKQYDVKQLLLAGGVAANQGLRERLIQEVKLELPETELIIPPLALCGDNAAMIAAAGTVSFLQGKRSGFDMNANPGLLLEDI
Complex: ANP_B_4(2VWB) / Model_30(2VWB/B) = [5.0] Download915.4711.58VGGLMKKNTLILGIESSCDETAASVVKNGNEIISSVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEALKQANVTMDDLDGVAVTEGPGLVGALLIGVNAAKTLAFMHNLPLVGVHHIAGHIYANRFETEFKFPLLSLVVSGGHTELVLMKADNEFEIIGETRDDAAGEAYDKVARTLGLAYPGGVQIDKLAKDGEDTFHFPRAMMDEGSFDFSFSGLKSSFINTLHNLRQRGEEPNPNDMAASFQASVVDVLVSKTIRAAKQYDVKQLLLAGGVAANQGLRERLIQEVKLELPETELIIPPLALCGDNAAMIAAAGTVSFLQGKRSGFDMNANPGLLLEDI
Complex: ATP_A_6(4WQ4) / Model_4(4WQ4/A) = [5.2] Download1236.6213.06VGGLMKKNTLILGIESSCDETAASVVKNGNEIISSVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEALKQANVTMDDLDGVAVTEGPGLVGALLIGVNAAKTLAFMHNLPLVGVHHIAGHIYANRFETEFKFPLLSLVVSGGHTELVLMKADNEFEIIGETRDDAAGEAYDKVARTLGLAYPGGVQIDKLAKDGEDTFHFPRAMMDEGSFDFSFSGLKSSFINTLHNLRQRGEEPNPNDMAASFQASVVDVLVSKTIRAAKQYDVKQLLLAGGVAANQGLRERLIQEVKLELPETELIIPPLALCGDNAAMIAAAGTVSFLQGKRSGFDMNANPGLLLEDI
Complex: AMP_B_6(3WUH) / Model_28(3WUH/B) = [5.2] Download967.6015.48VGGLMKKNTLILGIESSCDETAASVVKNGNEIISSVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEALKQANVTMDDLDGVAVTEGPGLVGALLIGVNAAKTLAFMHNLPLVGVHHIAGHIYANRFETEFKFPLLSLVVSGGHTELVLMKADNEFEIIGETRDDAAGEAYDKVARTLGLAYPGGVQIDKLAKDGEDTFHFPRAMMDEGSFDFSFSGLKSSFINTLHNLRQRGEEPNPNDMAASFQASVVDVLVSKTIRAAKQYDVKQLLLAGGVAANQGLRERLIQEVKLELPETELIIPPLALCGDNAAMIAAAGTVSFLQGKRSGFDMNANPGLLLEDI
Complex: ANP_A_3(2VWB) / Model_11(2VWB/A) = [5.8] Download911.9613.22VGGLMKKNTLILGIESSCDETAASVVKNGNEIISSVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEALKQANVTMDDLDGVAVTEGPGLVGALLIGVNAAKTLAFMHNLPLVGVHHIAGHIYANRFETEFKFPLLSLVVSGGHTELVLMKADNEFEIIGETRDDAAGEAYDKVARTLGLAYPGGVQIDKLAKDGEDTFHFPRAMMDEGSFDFSFSGLKSSFINTLHNLRQRGEEPNPNDMAASFQASVVDVLVSKTIRAAKQYDVKQLLLAGGVAANQGLRERLIQEVKLELPETELIIPPLALCGDNAAMIAAAGTVSFLQGKRSGFDMNANPGLLLEDI
Consensus
[pKd Mean = 5.20]
-1008
(s=119)
13
(s=1)
VGGLMKKNTLILGIESSCDETAASVVKNGNEIISSVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEALKQANVTMDDLDGVAVTEGPGLVGALLIGVNAAKTLAFMHNLPLVGVHHIAGHIYANRFETEFKFPLLSLVVSGGHTELVLMKADNEFEIIGETRDDAAGEAYDKVARTLGLAYPGGVQIDKLAKDGEDTFHFPRAMMDEGSFDFSFSGLKSSFINTLHNLRQRGEEPNPNDMAASFQASVVDVLVSKTIRAAKQYDVKQLLLAGGVAANQGLRERLIQEVKLELPETELIIPPLALCGDNAAMIAAAGTVSFLQGKRSGFDMNANPGLLLEDI