Study : Lmo1089 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: CTP_C_3(1COZ) / Model_100(1COZ/A) = [5.3] Download1273.6912.48MKKVITYGTFDLLHWGHIHLLKRAKALGDYLIVAISSDEFNRIKHKEAYHSYEHRKLIIEAIRYVDEVIPENNWEQKRDDIEKYGIDVFVMGDDWEGEFDFLKDVCEVVYLPRTEGISTSQIKDELK
Complex: C2G_K_11(1N1D) / Model_21(1N1D/D) = [7.1] Download823.3617.35MKKVITYGTFDLLHWGHIHLLKRAKALGDYLIVAISSDEFNRIKHKEAYHSYEHRKLIIEAIRYVDEVIPENNWEQKRDDIEKYGIDVFVMGDDWEGEFDFLKDVCEVVYLPRTEGISTSQIKDELK
Complex: CTP_C_3(1COZ) / Model_99(1COZ/A) = [7.2] Download796.3114.54MKKVITYGTFDLLHWGHIHLLKRAKALGDYLIVAISSDEFNRIKHKEAYHSYEHRKLIIEAIRYVDEVIPENNWEQKRDDIEKYGIDVFVMGDDWEGEFDFLKDVCEVVYLPRTEGISTSQIKDELK
Complex: CTP_C_3(1COZ) / Model_1(1COZ/A) = [7.2] Download841.5014.54MKKVITYGTFDLLHWGHIHLLKRAKALGDYLIVAISSDEFNRIKHKEAYHSYEHRKLIIEAIRYVDEVIPENNWEQKRDDIEKYGIDVFVMGDDWEGEFDFLKDVCEVVYLPRTEGISTSQIKDELK
Complex: CTP_D_4(1COZ) / Model_24(1COZ/B) = [7.2] Download869.0715.18MKKVITYGTFDLLHWGHIHLLKRAKALGDYLIVAISSDEFNRIKHKEAYHSYEHRKLIIEAIRYVDEVIPENNWEQKRDDIEKYGIDVFVMGDDWEGEFDFLKDVCEVVYLPRTEGISTSQIKDELK
Consensus
[pKd Mean = 6.80]
-920
(s=178)
14
(s=1)
MKKVITYGTFDLLHWGHIHLLKRAKALGDYLIVAISSDEFNRIKHKEAYHSYEHRKLIIEAIRYVDEVIPENNWEQKRDDIEKYGIDVFVMGDDWEGEFDFLKDVCEVVYLPRTEGISTSQIKDELK