Study : 024_tI_WHEAT (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: DAO_E_5(2ALG) / Model_23(2ALG/A) = [3.8] Download866.5841.83AISCGQVSSALTPCVAYAKGSGTSPSGACCSGVRKLAGLARSTADKQATCRCLKSVAGGLNPNKAAGIPSKCGVSVPYTISASVDCSKIH
Complex: LPC_A_4(1BWO) / Model_25(1BWO/A) = [4.0] Download1216.6849.64AISCGQVSSALTPCVAYAKGSGTSPSGACCSGVRKLAGLARSTADKQATCRCLKSVAGGLNPNKAAGIPSKCGVSVPYTISASVDCSKIH
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [6.4] Download1263.8948.31AISCGQVSSALTPCVAYAKGSGTSPSGACCSGVRKLAGLARSTADKQATCRCLKSVAGGLNPNKAAGIPSKCGVSVPYTISASVDCSKIH
Consensus
[pKd Mean = 4.73]
-1115
(s=177)
46
(s=3)
AISCGQVSSALTPCVAYAKGSGTSPSGACCSGVRKLAGLARSTADKQATCRCLKSVAGGLNPNKAAGIPSKCGVSVPYTISASVDCSKIH