Study : jhp_0545 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: SER_A_2(3A2B) / Model_1(3A2B/A) = [3.3] Download7614.8227.64MFSKSLEALHHVKRYRKRELFDPLLKDYASNDYLGLSVKKDLLQNAFDKLQSFDCHSPKASMLVNGYHPLHAELEERLADLLEFESALLVGSGFLGNLALIDTLLVKNALLFMDAHYHASGIFSTKIKPNQVIFFSHNDIKDLKQKLFNAPKNKLKFIAIEGVYSMDASIAPYDFYEIIQETPNAFLIVDEAHSFGTIGENLLGFLEYHRIKEKDKIIKLSTFSKALASYGACVLAPLQVIEFLTNRAKSVIYTTALSLLDTALTLAHLEYFIAQKQELKNELSKHQQIIFETLGVRTPTGFFTLEFENNPALLNAQYFLKEKGFLVGAIRPPTVSKPLLRVSLSLKNSLEDTKELANALLDYSKIQSSFKSG
Complex: KAM_A_5(1DJ9) / Model_5(1DJ9/A) = [4.6] Download1349.2010.75MFSKSLEALHHVKRYRKRELFDPLLKDYASNDYLGLSVKKDLLQNAFDKLQSFDCHSPKASMLVNGYHPLHAELEERLADLLEFESALLVGSGFLGNLALIDTLLVKNALLFMDAHYHASGIFSTKIKPNQVIFFSHNDIKDLKQKLFNAPKNKLKFIAIEGVYSMDASIAPYDFYEIIQETPNAFLIVDEAHSFGTIGENLLGFLEYHRIKEKDKIIKLSTFSKALASYGACVLAPLQVIEFLTNRAKSVIYTTALSLLDTALTLAHLEYFIAQKQELKNELSKHQQIIFETLGVRTPTGFFTLEFENNPALLNAQYFLKEKGFLVGAIRPPTVSKPLLRVSLSLKNSLEDTKELANALLDYSKIQSSFKSG
Consensus
[pKd Mean = 3.95]
-4482
(s=3132)
19
(s=8)
MFSKSLEALHHVKRYRKRELFDPLLKDYASNDYLGLSVKKDLLQNAFDKLQSFDCHSPKASMLVNGYHPLHAELEERLADLLEFESALLVGSGFLGNLALIDTLLVKNALLFMDAHYHASGIFSTKIKPNQVIFFSHNDIKDLKQKLFNAPKNKLKFIAIEGVYSMDASIAPYDFYEIIQETPNAFLIVDEAHSFGTIGENLLGFLEYHRIKEKDKIIKLSTFSKALASYGACVLAPLQVIEFLTNRAKSVIYTTALSLLDTALTLAHLEYFIAQKQELKNELSKHQQIIFETLGVRTPTGFFTLEFENNPALLNAQYFLKEKGFLVGAIRPPTVSKPLLRVSLSLKNSLEDTKELANALLDYSKIQSSFKSG