Study : jhp_0965 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: GEK_A_4(4QNV) / Model_2(4QNV/A) = [7.6] Download1226.2724.97MLICNDKFNPKTLLEEIMALRPWRKGPFEISQIKIDSEWDSSIKWDLVKNATPLKDKVVADVGCNNGYYLFKMLEHKPKSLVGFDPGVLVKKQFEFLAPFFDKEKKIIYESLGVEDFHEKYPNAFDVIFCLGVLYHRKSPLEALKALYHALKIKGELVLDTLIIDSPLDIALCPKKTYAKMKNVYFIPSVSALKGWCERVGFENFEILSVLKTTPKEQRKTDFILGQSLEDFLDKTDHSKTLEGYDAPLRGYFKMLKPSKR
Complex: GEK_B_6(4QNV) / Model_22(4QNV/B) = [7.8] Download1376.6928.76MLICNDKFNPKTLLEEIMALRPWRKGPFEISQIKIDSEWDSSIKWDLVKNATPLKDKVVADVGCNNGYYLFKMLEHKPKSLVGFDPGVLVKKQFEFLAPFFDKEKKIIYESLGVEDFHEKYPNAFDVIFCLGVLYHRKSPLEALKALYHALKIKGELVLDTLIIDSPLDIALCPKKTYAKMKNVYFIPSVSALKGWCERVGFENFEILSVLKTTPKEQRKTDFILGQSLEDFLDKTDHSKTLEGYDAPLRGYFKMLKPSKR
Consensus
[pKd Mean = 7.70]
-1301
(s=75)
26
(s=2)
MLICNDKFNPKTLLEEIMALRPWRKGPFEISQIKIDSEWDSSIKWDLVKNATPLKDKVVADVGCNNGYYLFKMLEHKPKSLVGFDPGVLVKKQFEFLAPFFDKEKKIIYESLGVEDFHEKYPNAFDVIFCLGVLYHRKSPLEALKALYHALKIKGELVLDTLIIDSPLDIALCPKKTYAKMKNVYFIPSVSALKGWCERVGFENFEILSVLKTTPKEQRKTDFILGQSLEDFLDKTDHSKTLEGYDAPLRGYFKMLKPSKR