Study : SA0805 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: COA_A_5(4M20) / Model_23(4M20/B) = [3.9] Download728.7541.08MTHLLETFEMSIDHQEDGLVVISMPVTDKVKQPFGYLHGGASIALGETACSLGSANLIDTTKFIPLGLEMNANHIHSAKDGRVTATAEIIHRGKSTHVWDIKIKNDKEQLITVMRGTVAIKPLK
Complex: COA_D_6(4M20) / Model_22(4M20/C) = [4.0] Download1010.0645.07MTHLLETFEMSIDHQEDGLVVISMPVTDKVKQPFGYLHGGASIALGETACSLGSANLIDTTKFIPLGLEMNANHIHSAKDGRVTATAEIIHRGKSTHVWDIKIKNDKEQLITVMRGTVAIKPLK
Consensus
[pKd Mean = 3.95]
-869
(s=140)
43
(s=1)
MTHLLETFEMSIDHQEDGLVVISMPVTDKVKQPFGYLHGGASIALGETACSLGSANLIDTTKFIPLGLEMNANHIHSAKDGRVTATAEIIHRGKSTHVWDIKIKNDKEQLITVMRGTVAIKPLK