Study : Lmo1760 (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: CIT_B_4(2F6U) / Model_29(2F6U/B) = [3.8] Download328.530.13MKHLFKLDPAKNLPTNDVTKLIHSGTDGFIIGGTDNVQIEAVQNLYELLVETDLPIFLEISNESMILPEADHFLIPVVLNTENSKWTHGLHKELIKEMGEFIPWKRVTSEGYVILNKDAKVAHLTEAKTDLTDEDIVAYARLAENIFHLPIFYVEYSGMYGDPEVVRKASAALSNTKFWYGGGIRSKEQAAEMAKYADTIIVGNIIYEDLEKALETATIFRKKTV
Complex: 1GP_B_13(3VZY) / Model_24(3VZY/B) = [3.9] Download552.353.90MKHLFKLDPAKNLPTNDVTKLIHSGTDGFIIGGTDNVQIEAVQNLYELLVETDLPIFLEISNESMILPEADHFLIPVVLNTENSKWTHGLHKELIKEMGEFIPWKRVTSEGYVILNKDAKVAHLTEAKTDLTDEDIVAYARLAENIFHLPIFYVEYSGMYGDPEVVRKASAALSNTKFWYGGGIRSKEQAAEMAKYADTIIVGNIIYEDLEKALETATIFRKKTV
Complex: 1GP_A_3(2F6X) / Model_10(2F6X/A) = [4.2] Download466.124.39MKHLFKLDPAKNLPTNDVTKLIHSGTDGFIIGGTDNVQIEAVQNLYELLVETDLPIFLEISNESMILPEADHFLIPVVLNTENSKWTHGLHKELIKEMGEFIPWKRVTSEGYVILNKDAKVAHLTEAKTDLTDEDIVAYARLAENIFHLPIFYVEYSGMYGDPEVVRKASAALSNTKFWYGGGIRSKEQAAEMAKYADTIIVGNIIYEDLEKALETATIFRKKTV
Complex: CIT_A_3(2F6U) / Model_32(2F6U/A) = [4.6] Download338.533.38MKHLFKLDPAKNLPTNDVTKLIHSGTDGFIIGGTDNVQIEAVQNLYELLVETDLPIFLEISNESMILPEADHFLIPVVLNTENSKWTHGLHKELIKEMGEFIPWKRVTSEGYVILNKDAKVAHLTEAKTDLTDEDIVAYARLAENIFHLPIFYVEYSGMYGDPEVVRKASAALSNTKFWYGGGIRSKEQAAEMAKYADTIIVGNIIYEDLEKALETATIFRKKTV
Complex: CIT_A_3(2F6U) / Model_9(2F6U/A) = [4.7] Download336.53-3.31MKHLFKLDPAKNLPTNDVTKLIHSGTDGFIIGGTDNVQIEAVQNLYELLVETDLPIFLEISNESMILPEADHFLIPVVLNTENSKWTHGLHKELIKEMGEFIPWKRVTSEGYVILNKDAKVAHLTEAKTDLTDEDIVAYARLAENIFHLPIFYVEYSGMYGDPEVVRKASAALSNTKFWYGGGIRSKEQAAEMAKYADTIIVGNIIYEDLEKALETATIFRKKTV
Consensus
[pKd Mean = 4.24]
-404
(s=89)
1
(s=2)
MKHLFKLDPAKNLPTNDVTKLIHSGTDGFIIGGTDNVQIEAVQNLYELLVETDLPIFLEISNESMILPEADHFLIPVVLNTENSKWTHGLHKELIKEMGEFIPWKRVTSEGYVILNKDAKVAHLTEAKTDLTDEDIVAYARLAENIFHLPIFYVEYSGMYGDPEVVRKASAALSNTKFWYGGGIRSKEQAAEMAKYADTIIVGNIIYEDLEKALETATIFRKKTV