Study : SA1894 (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: POP_A_6(1G67) / Model_4(1G67/A) = [3.2] Download528.96-2.47MFNQSYLNVYFICGTSDVPSHRTIHEVLEAALKAGITLFQFREKGESALKGNDKLVLAKELQHLCHQYDVPFIVNDDVSLAKEINADGIHVGQDDAKVKEIAQYFTDKIIGLSISDLDEYAKSDLTHVDYIGVGPIYPTPSKHDAHIPVGPEMIATFKEMNPQLPIVAIGGINTNNVAPIVEAGANGISVISAISKSENIEKTVNRFKDFFNN
Complex: ICP_A_5(1G67) / Model_4(1G67/A) = [3.3] Download482.5812.37MFNQSYLNVYFICGTSDVPSHRTIHEVLEAALKAGITLFQFREKGESALKGNDKLVLAKELQHLCHQYDVPFIVNDDVSLAKEINADGIHVGQDDAKVKEIAQYFTDKIIGLSISDLDEYAKSDLTHVDYIGVGPIYPTPSKHDAHIPVGPEMIATFKEMNPQLPIVAIGGINTNNVAPIVEAGANGISVISAISKSENIEKTVNRFKDFFNN
Complex: POP_B_8(2TPS) / Model_21(2TPS/B) = [3.7] Download520.111.33MFNQSYLNVYFICGTSDVPSHRTIHEVLEAALKAGITLFQFREKGESALKGNDKLVLAKELQHLCHQYDVPFIVNDDVSLAKEINADGIHVGQDDAKVKEIAQYFTDKIIGLSISDLDEYAKSDLTHVDYIGVGPIYPTPSKHDAHIPVGPEMIATFKEMNPQLPIVAIGGINTNNVAPIVEAGANGISVISAISKSENIEKTVNRFKDFFNN
Complex: IFP_B_8(1G6C) / Model_26(1G6C/B) = [4.1] Download403.6612.15MFNQSYLNVYFICGTSDVPSHRTIHEVLEAALKAGITLFQFREKGESALKGNDKLVLAKELQHLCHQYDVPFIVNDDVSLAKEINADGIHVGQDDAKVKEIAQYFTDKIIGLSISDLDEYAKSDLTHVDYIGVGPIYPTPSKHDAHIPVGPEMIATFKEMNPQLPIVAIGGINTNNVAPIVEAGANGISVISAISKSENIEKTVNRFKDFFNN
Complex: IFP_A_5(1G6C) / Model_8(1G6C/A) = [4.1] Download351.088.89MFNQSYLNVYFICGTSDVPSHRTIHEVLEAALKAGITLFQFREKGESALKGNDKLVLAKELQHLCHQYDVPFIVNDDVSLAKEINADGIHVGQDDAKVKEIAQYFTDKIIGLSISDLDEYAKSDLTHVDYIGVGPIYPTPSKHDAHIPVGPEMIATFKEMNPQLPIVAIGGINTNNVAPIVEAGANGISVISAISKSENIEKTVNRFKDFFNN
Consensus
[pKd Mean = 3.68]
-457
(s=69)
6
(s=6)
MFNQSYLNVYFICGTSDVPSHRTIHEVLEAALKAGITLFQFREKGESALKGNDKLVLAKELQHLCHQYDVPFIVNDDVSLAKEINADGIHVGQDDAKVKEIAQYFTDKIIGLSISDLDEYAKSDLTHVDYIGVGPIYPTPSKHDAHIPVGPEMIATFKEMNPQLPIVAIGGINTNNVAPIVEAGANGISVISAISKSENIEKTVNRFKDFFNN