Study : Wbm0155 (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: AMP_D_8(2DEU) / Model_21(2DEU/B) = [4.0] Download986.4320.00MLKEFEIEPLLKDKVPHQTKAVVAMSGGVDSSVAAVLLHRLGYQVIGVTLQLYGADGNSNTRKKGVCCAGQDIYDAKRVAEGTGFPHYILNYEEIFKKEVIESFAQTYIQGKTPIPCIKCNQTVKFRDLLQVTRNLGADVLITGHYVRRLEKNGEVKLCRGIDKSKDQSYFLFATTKEQLKLLRFPLGGFYKCNVRKLARYFSLPISEKPDSQDICFVSENYSKTIAKLAPQSIQKGKIVDVNGKVLGEHNGIVNFTVGQRKGLGIAYSEPLYVVRINTKNNEIVVGPVNALMQRKILVKELNWLEQPKKGMEVTVKLRSLHSGSLAKIYPAKEQNKAYVILNDDYFSISPGQACVAYKDEQVIGGGWICS
Complex: AMP_C_7(2DEU) / Model_3(2DEU/A) = [4.0] Download875.4624.20MLKEFEIEPLLKDKVPHQTKAVVAMSGGVDSSVAAVLLHRLGYQVIGVTLQLYGADGNSNTRKKGVCCAGQDIYDAKRVAEGTGFPHYILNYEEIFKKEVIESFAQTYIQGKTPIPCIKCNQTVKFRDLLQVTRNLGADVLITGHYVRRLEKNGEVKLCRGIDKSKDQSYFLFATTKEQLKLLRFPLGGFYKCNVRKLARYFSLPISEKPDSQDICFVSENYSKTIAKLAPQSIQKGKIVDVNGKVLGEHNGIVNFTVGQRKGLGIAYSEPLYVVRINTKNNEIVVGPVNALMQRKILVKELNWLEQPKKGMEVTVKLRSLHSGSLAKIYPAKEQNKAYVILNDDYFSISPGQACVAYKDEQVIGGGWICS
Complex: SAM_A_3(2HMA) / Model_4(2HMA/A) = [6.8] Download1811.7625.88MLKEFEIEPLLKDKVPHQTKAVVAMSGGVDSSVAAVLLHRLGYQVIGVTLQLYGADGNSNTRKKGVCCAGQDIYDAKRVAEGTGFPHYILNYEEIFKKEVIESFAQTYIQGKTPIPCIKCNQTVKFRDLLQVTRNLGADVLITGHYVRRLEKNGEVKLCRGIDKSKDQSYFLFATTKEQLKLLRFPLGGFYKCNVRKLARYFSLPISEKPDSQDICFVSENYSKTIAKLAPQSIQKGKIVDVNGKVLGEHNGIVNFTVGQRKGLGIAYSEPLYVVRINTKNNEIVVGPVNALMQRKILVKELNWLEQPKKGMEVTVKLRSLHSGSLAKIYPAKEQNKAYVILNDDYFSISPGQACVAYKDEQVIGGGWICS
Consensus
[pKd Mean = 4.93]
-1224
(s=417)
23
(s=2)
MLKEFEIEPLLKDKVPHQTKAVVAMSGGVDSSVAAVLLHRLGYQVIGVTLQLYGADGNSNTRKKGVCCAGQDIYDAKRVAEGTGFPHYILNYEEIFKKEVIESFAQTYIQGKTPIPCIKCNQTVKFRDLLQVTRNLGADVLITGHYVRRLEKNGEVKLCRGIDKSKDQSYFLFATTKEQLKLLRFPLGGFYKCNVRKLARYFSLPISEKPDSQDICFVSENYSKTIAKLAPQSIQKGKIVDVNGKVLGEHNGIVNFTVGQRKGLGIAYSEPLYVVRINTKNNEIVVGPVNALMQRKILVKELNWLEQPKKGMEVTVKLRSLHSGSLAKIYPAKEQNKAYVILNDDYFSISPGQACVAYKDEQVIGGGWICS