Study : Wbm0548 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: L5V_A_3(4CC5) / Model_7(4CC5/A) = [4.2] Download650.5029.90MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE
Complex: AMP_B_2(1ZAU) / Model_30(1ZAU/A) = [4.4] Download946.328.87MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE
Complex: AMP_B_2(1ZAU) / Model_37(1ZAU/A) = [4.4] Download977.988.87MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE
Complex: NACID_C_2(4GLX) / Model_2(4GLX/A) = [4.5] Download--MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE
Complex: AMP_A_2(3SGI) / Model_33(3SGI/A) = [4.6] Download835.569.42MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE
Consensus
[pKd Mean = 4.42]
-852
(s=128)
14
(s=9)
MADLEKMIEEFTKLRDQISYHDVLYHQKSKPEIADAEYDKLKQKLVEMEGQLPGACVTQDGVGAAPDEKFSKIKHREPMLSLENAYDEQGVERFLSRIKRFLIEEEIEVFCEPKIDGLSFSAVYEDGRFVKAATRGDGFIGEDVTRNVATIKGFPRFLQDVQDRLEVRGEIYINNSDFLKLNKDNEFANPRNAAAGSLKQLDVSITANRPLKYFAYSLIGGKEKSQSEVLNRLESLGFCVNEHRSLTNNLSGMLEFYNKVYNCRYSLDYDIDGIVYKVNDLILQSRLGSTHKAPRSALAYKFSAVYAKTKLNKIFIQVGRTGVLTPVADLIPVNIGGVLVSRANLHNQDEIKRKDVREGDIVTIKRAGDVIPQIVRVDKGSRHADAPGFVFPEICPECGGKVQAEGAAIRCSEELTCKAQIIGKLSHFVSKGAFDIFGLGEKQIKFFYDLGLIKQIPDIFNLEERLNEFSLKEQPDWGERSIANLLNAIQNRRVITLDRFIFSLGIRFIGQVAAELLANYYVSYNNWYNSMIKLLSNDAEVGVGGVEKKIAKSFSDELVGIDGIGEKVAESLKSFFSKEHNIKMLKDLTDYLQILSVNSNSSNSVLNNKVIVFTGKLLTMSRGEAKVRAKALGAKVSSNLSAKIDYLVAGEKPGNKYKKAVELGVGILNEDQWYRMINSEVSE