Study : jhp_1256 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: CIT_A_5(1YUM) / Model_64(1YUM/A) = [3.6] Download793.69-5.44MNTMNSVLECKELALYGGSFDPLHKAHLAIIEQTLELLPFVQLIVLPAYQNPFKKPCFLDAKTRFKELERALKGMPRVLLSDFEIKQERAVPTIESVLHFQKLYRPKTLYLVIGADCLRHLSSWTNAKELLKRVELVVFERIGYEEIQFKGRYHPLKGIDAPISSSAIRASLGV
Complex: CIT_E_5(1K4M) / Model_63(1K4M/A) = [3.7] Download986.82-2.39MNTMNSVLECKELALYGGSFDPLHKAHLAIIEQTLELLPFVQLIVLPAYQNPFKKPCFLDAKTRFKELERALKGMPRVLLSDFEIKQERAVPTIESVLHFQKLYRPKTLYLVIGADCLRHLSSWTNAKELLKRVELVVFERIGYEEIQFKGRYHPLKGIDAPISSSAIRASLGV
Consensus
[pKd Mean = 3.65]
-890
(s=96)
-3
(s=1)
MNTMNSVLECKELALYGGSFDPLHKAHLAIIEQTLELLPFVQLIVLPAYQNPFKKPCFLDAKTRFKELERALKGMPRVLLSDFEIKQERAVPTIESVLHFQKLYRPKTLYLVIGADCLRHLSSWTNAKELLKRVELVVFERIGYEEIQFKGRYHPLKGIDAPISSSAIRASLGV