Study : 029_tI_WHEAT (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: HP6_G_7(2ALG) / Model_24(2ALG/A) = [3.1] Download607.5738.86AVTCGDVMSAIPPCMSYATGQASSPSAGCCSGVRTLNGKASTSADRQAACRCLKNLAGSFNGISMGNAANIPGKCGVSVSFPINNNVNCNNLH
Complex: LPC_A_4(1BWO) / Model_26(1BWO/A) = [5.0] Download1400.2246.96AVTCGDVMSAIPPCMSYATGQASSPSAGCCSGVRTLNGKASTSADRQAACRCLKNLAGSFNGISMGNAANIPGKCGVSVSFPINNNVNCNNLH
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.8] Download1205.3837.11AVTCGDVMSAIPPCMSYATGQASSPSAGCCSGVRTLNGKASTSADRQAACRCLKNLAGSFNGISMGNAANIPGKCGVSVSFPINNNVNCNNLH
Consensus
[pKd Mean = 4.63]
-1071
(s=337)
40
(s=4)
AVTCGDVMSAIPPCMSYATGQASSPSAGCCSGVRTLNGKASTSADRQAACRCLKNLAGSFNGISMGNAANIPGKCGVSVSFPINNNVNCNNLH