Study : Lmo0816 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: COA_A_5(1TIQ) / Model_63(1TIQ/A) = [3.3] Download1406.9217.55MIKLCTISDSQALLEVSYKTFDETFRAQNKPENMDAYLKTNFTAKKLSDELKNPHSYFYFVFHQEAIAGYLKLNIGDAQTEEIAGNTIEIERIYVLKSFQKKGLGKELFNQAIEIAKEVDAKKIWLGVWEKNKNAIQFYAKLGFIKNGQHDFFMGDDCQTDIIMIKDL
Complex: COA_A_5(1TIQ) / Model_1(1TIQ/A) = [3.3] Download1409.8717.55MIKLCTISDSQALLEVSYKTFDETFRAQNKPENMDAYLKTNFTAKKLSDELKNPHSYFYFVFHQEAIAGYLKLNIGDAQTEEIAGNTIEIERIYVLKSFQKKGLGKELFNQAIEIAKEVDAKKIWLGVWEKNKNAIQFYAKLGFIKNGQHDFFMGDDCQTDIIMIKDL
Complex: COA_A_4(1TIQ) / Model_1(1TIQ/A) = [10.5] Download2053.5829.32MIKLCTISDSQALLEVSYKTFDETFRAQNKPENMDAYLKTNFTAKKLSDELKNPHSYFYFVFHQEAIAGYLKLNIGDAQTEEIAGNTIEIERIYVLKSFQKKGLGKELFNQAIEIAKEVDAKKIWLGVWEKNKNAIQFYAKLGFIKNGQHDFFMGDDCQTDIIMIKDL
Consensus
[pKd Mean = 5.70]
-1623
(s=304)
21
(s=5)
MIKLCTISDSQALLEVSYKTFDETFRAQNKPENMDAYLKTNFTAKKLSDELKNPHSYFYFVFHQEAIAGYLKLNIGDAQTEEIAGNTIEIERIYVLKSFQKKGLGKELFNQAIEIAKEVDAKKIWLGVWEKNKNAIQFYAKLGFIKNGQHDFFMGDDCQTDIIMIKDL