Study : 077_tI_ARATH (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: DAO_E_5(2ALG) / Model_11(2ALG/A) = [3.6] Download666.5732.48ALSCGSVNSNLAACIGYVLQGGVIPPACCSGVKNLNSIAKTTPDRQQACNCIQGAARALGSGLNAGRAAGIPKACGVNIPYKISTSTNCKTVR
Complex: LPC_A_4(1BWO) / Model_16(1BWO/A) = [4.3] Download1014.3246.59ALSCGSVNSNLAACIGYVLQGGVIPPACCSGVKNLNSIAKTTPDRQQACNCIQGAARALGSGLNAGRAAGIPKACGVNIPYKISTSTNCKTVR
Complex: OLA_A_2(1FK5) / Model_30(1FK5/A) = [5.8] Download1132.9742.88ALSCGSVNSNLAACIGYVLQGGVIPPACCSGVKNLNSIAKTTPDRQQACNCIQGAARALGSGLNAGRAAGIPKACGVNIPYKISTSTNCKTVR
Complex: LPC_A_3(1BWO) / Model_16(1BWO/A) = [6.6] Download1436.5337.17ALSCGSVNSNLAACIGYVLQGGVIPPACCSGVKNLNSIAKTTPDRQQACNCIQGAARALGSGLNAGRAAGIPKACGVNIPYKISTSTNCKTVR
Consensus
[pKd Mean = 5.07]
-1062
(s=275)
39
(s=5)
ALSCGSVNSNLAACIGYVLQGGVIPPACCSGVKNLNSIAKTTPDRQQACNCIQGAARALGSGLNAGRAAGIPKACGVNIPYKISTSTNCKTVR