Study : jhp_0028 (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: CHAIN_D_4(3GW1) / Model_22(3GW1/B) = [3.7] Download--MKMHQIPTPTMSQVIMLNDSITTAEFMVSALRDFFDKPLEEAQKLMLSIHRDGDGVCGVYPYEIAIYKAVCVRDKARARFPLRLMVQEVK
Complex: CHAIN_C_3(3GW1) / Model_3(3GW1/A) = [3.8] Download--MKMHQIPTPTMSQVIMLNDSITTAEFMVSALRDFFDKPLEEAQKLMLSIHRDGDGVCGVYPYEIAIYKAVCVRDKARARFPLRLMVQEVK
Consensus
[pKd Mean = 3.75]
-0
(s=0)
0
(s=0)
MKMHQIPTPTMSQVIMLNDSITTAEFMVSALRDFFDKPLEEAQKLMLSIHRDGDGVCGVYPYEIAIYKAVCVRDKARARFPLRLMVQEVK