Study : bsu22480 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: FMT_J_10(1B93) / Model_51(1B93/A) = [3.1] Download149.0624.60MKIALIAHDKKKQDMVQFTTAYRDILKNHDLYATGTTGLKIHEATGLQIERFQSGPLGGDQQIGALIAANALDLVIFLRDPLTAQPHEPDVSALIRLCDVYSIPLATNMGTAEILVRTLDEGVFEFRDLLRGEEPNV
Complex: FMT_J_10(1B93) / Model_5(1B93/A) = [3.1] Download101.5624.60MKIALIAHDKKKQDMVQFTTAYRDILKNHDLYATGTTGLKIHEATGLQIERFQSGPLGGDQQIGALIAANALDLVIFLRDPLTAQPHEPDVSALIRLCDVYSIPLATNMGTAEILVRTLDEGVFEFRDLLRGEEPNV
Complex: PGA_J_10(1S8A) / Model_48(1S8A/D) = [3.2] Download221.7810.50MKIALIAHDKKKQDMVQFTTAYRDILKNHDLYATGTTGLKIHEATGLQIERFQSGPLGGDQQIGALIAANALDLVIFLRDPLTAQPHEPDVSALIRLCDVYSIPLATNMGTAEILVRTLDEGVFEFRDLLRGEEPNV
Complex: FMT_K_11(1B93) / Model_40(1B93/B) = [3.3] Download175.7011.87MKIALIAHDKKKQDMVQFTTAYRDILKNHDLYATGTTGLKIHEATGLQIERFQSGPLGGDQQIGALIAANALDLVIFLRDPLTAQPHEPDVSALIRLCDVYSIPLATNMGTAEILVRTLDEGVFEFRDLLRGEEPNV
Complex: PGH_J_10(1IK4) / Model_31(1IK4/D) = [3.4] Download295.9610.50MKIALIAHDKKKQDMVQFTTAYRDILKNHDLYATGTTGLKIHEATGLQIERFQSGPLGGDQQIGALIAANALDLVIFLRDPLTAQPHEPDVSALIRLCDVYSIPLATNMGTAEILVRTLDEGVFEFRDLLRGEEPNV
Consensus
[pKd Mean = 3.22]
-188
(s=66)
16
(s=6)
MKIALIAHDKKKQDMVQFTTAYRDILKNHDLYATGTTGLKIHEATGLQIERFQSGPLGGDQQIGALIAANALDLVIFLRDPLTAQPHEPDVSALIRLCDVYSIPLATNMGTAEILVRTLDEGVFEFRDLLRGEEPNV