Study : bsu36700 (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: SF4_B_9(1TV8) / Model_22(1TV8/B) = [3.4] Download299.107.87MITESRQMLDKRNRPLRDLRISVTDRCNFRCTYCMPAELFGPDYPFLKKEELLSFEELERLATLFVTRFGVEKIRLTGGEPLMRKDMPELIKKLARIPGIRDIAMTTNGSLLPVYAKRLKEAGLKRVTISLDSLEDERFKKINGRGVSVSKVLEGIEAAKQAGLGVKINMVVQKGVNEKDILPMARYFKEKGHILRFIEFMDVGNTNQWEKKDVMTKAEIIDLINKHMPVEPIAPNYIGEVASRFRYLDGSGEIGVISSVSDAFCGSCNRARLSARGELFTCLFASSGFDLRAPVRQELSDDELSEMIGTVWKNRIDQYSVDRTLSKASGKKKVEMSYIGG
Complex: SF4_A_7(1TV8) / Model_2(1TV8/A) = [3.6] Download263.016.47MITESRQMLDKRNRPLRDLRISVTDRCNFRCTYCMPAELFGPDYPFLKKEELLSFEELERLATLFVTRFGVEKIRLTGGEPLMRKDMPELIKKLARIPGIRDIAMTTNGSLLPVYAKRLKEAGLKRVTISLDSLEDERFKKINGRGVSVSKVLEGIEAAKQAGLGVKINMVVQKGVNEKDILPMARYFKEKGHILRFIEFMDVGNTNQWEKKDVMTKAEIIDLINKHMPVEPIAPNYIGEVASRFRYLDGSGEIGVISSVSDAFCGSCNRARLSARGELFTCLFASSGFDLRAPVRQELSDDELSEMIGTVWKNRIDQYSVDRTLSKASGKKKVEMSYIGG
Complex: 5AD_A_10(2FB3) / Model_3(2FB3/A) = [3.6] Download861.6417.00MITESRQMLDKRNRPLRDLRISVTDRCNFRCTYCMPAELFGPDYPFLKKEELLSFEELERLATLFVTRFGVEKIRLTGGEPLMRKDMPELIKKLARIPGIRDIAMTTNGSLLPVYAKRLKEAGLKRVTISLDSLEDERFKKINGRGVSVSKVLEGIEAAKQAGLGVKINMVVQKGVNEKDILPMARYFKEKGHILRFIEFMDVGNTNQWEKKDVMTKAEIIDLINKHMPVEPIAPNYIGEVASRFRYLDGSGEIGVISSVSDAFCGSCNRARLSARGELFTCLFASSGFDLRAPVRQELSDDELSEMIGTVWKNRIDQYSVDRTLSKASGKKKVEMSYIGG
Complex: SF4_B_12(2FB3) / Model_21(2FB3/B) = [3.7] Download212.8320.00MITESRQMLDKRNRPLRDLRISVTDRCNFRCTYCMPAELFGPDYPFLKKEELLSFEELERLATLFVTRFGVEKIRLTGGEPLMRKDMPELIKKLARIPGIRDIAMTTNGSLLPVYAKRLKEAGLKRVTISLDSLEDERFKKINGRGVSVSKVLEGIEAAKQAGLGVKINMVVQKGVNEKDILPMARYFKEKGHILRFIEFMDVGNTNQWEKKDVMTKAEIIDLINKHMPVEPIAPNYIGEVASRFRYLDGSGEIGVISSVSDAFCGSCNRARLSARGELFTCLFASSGFDLRAPVRQELSDDELSEMIGTVWKNRIDQYSVDRTLSKASGKKKVEMSYIGG
Complex: SF4_B_8(1TV7) / Model_23(1TV7/B) = [3.9] Download218.5217.00MITESRQMLDKRNRPLRDLRISVTDRCNFRCTYCMPAELFGPDYPFLKKEELLSFEELERLATLFVTRFGVEKIRLTGGEPLMRKDMPELIKKLARIPGIRDIAMTTNGSLLPVYAKRLKEAGLKRVTISLDSLEDERFKKINGRGVSVSKVLEGIEAAKQAGLGVKINMVVQKGVNEKDILPMARYFKEKGHILRFIEFMDVGNTNQWEKKDVMTKAEIIDLINKHMPVEPIAPNYIGEVASRFRYLDGSGEIGVISSVSDAFCGSCNRARLSARGELFTCLFASSGFDLRAPVRQELSDDELSEMIGTVWKNRIDQYSVDRTLSKASGKKKVEMSYIGG
Consensus
[pKd Mean = 3.64]
-371
(s=247)
13
(s=5)
MITESRQMLDKRNRPLRDLRISVTDRCNFRCTYCMPAELFGPDYPFLKKEELLSFEELERLATLFVTRFGVEKIRLTGGEPLMRKDMPELIKKLARIPGIRDIAMTTNGSLLPVYAKRLKEAGLKRVTISLDSLEDERFKKINGRGVSVSKVLEGIEAAKQAGLGVKINMVVQKGVNEKDILPMARYFKEKGHILRFIEFMDVGNTNQWEKKDVMTKAEIIDLINKHMPVEPIAPNYIGEVASRFRYLDGSGEIGVISSVSDAFCGSCNRARLSARGELFTCLFASSGFDLRAPVRQELSDDELSEMIGTVWKNRIDQYSVDRTLSKASGKKKVEMSYIGG