Study : D4MJE0_9FIRM (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: BAX_A_3(1UWH) / Model_71(1UWH/A) = [3.1] Download1018.5231.12MNEIKLGKKISEGKTVDVYESGDLAVKVFKPDAPKTVVFYEAFMDSKVEETGLNVPKIKEVELIDGKWAIATELIKGKTLAQIMQEEPENCDGYLDDMVELQLSIHAKKVTGISKLKDKLREEIESLDVIDHIKRYDLLTRLDSTPKHVKLCHGNFGPENIVVTDDNKVYIVDWIGASAGNASADVAKTYLKLALTSTETAEKYLNLFCKKTNTAKTYVQEWLPIMAASTLAKGVTSKEEKDLLFTWLDVVDYS
Complex: ADP_A_2(4DCA) / Model_61(4DCA/A) = [3.3] Download1202.3415.46MNEIKLGKKISEGKTVDVYESGDLAVKVFKPDAPKTVVFYEAFMDSKVEETGLNVPKIKEVELIDGKWAIATELIKGKTLAQIMQEEPENCDGYLDDMVELQLSIHAKKVTGISKLKDKLREEIESLDVIDHIKRYDLLTRLDSTPKHVKLCHGNFGPENIVVTDDNKVYIVDWIGASAGNASADVAKTYLKLALTSTETAEKYLNLFCKKTNTAKTYVQEWLPIMAASTLAKGVTSKEEKDLLFTWLDVVDYS
Complex: ADP_A_4(1L8T) / Model_47(1L8T/A) = [4.3] Download735.7210.00MNEIKLGKKISEGKTVDVYESGDLAVKVFKPDAPKTVVFYEAFMDSKVEETGLNVPKIKEVELIDGKWAIATELIKGKTLAQIMQEEPENCDGYLDDMVELQLSIHAKKVTGISKLKDKLREEIESLDVIDHIKRYDLLTRLDSTPKHVKLCHGNFGPENIVVTDDNKVYIVDWIGASAGNASADVAKTYLKLALTSTETAEKYLNLFCKKTNTAKTYVQEWLPIMAASTLAKGVTSKEEKDLLFTWLDVVDYS
Complex: ANP_A_2(3TM0) / Model_46(3TM0/A) = [5.4] Download1147.7315.04MNEIKLGKKISEGKTVDVYESGDLAVKVFKPDAPKTVVFYEAFMDSKVEETGLNVPKIKEVELIDGKWAIATELIKGKTLAQIMQEEPENCDGYLDDMVELQLSIHAKKVTGISKLKDKLREEIESLDVIDHIKRYDLLTRLDSTPKHVKLCHGNFGPENIVVTDDNKVYIVDWIGASAGNASADVAKTYLKLALTSTETAEKYLNLFCKKTNTAKTYVQEWLPIMAASTLAKGVTSKEEKDLLFTWLDVVDYS
Complex: ACP_A_2(1O6Y) / Model_68(1O6Y/A) = [6.2] Download1090.6515.82MNEIKLGKKISEGKTVDVYESGDLAVKVFKPDAPKTVVFYEAFMDSKVEETGLNVPKIKEVELIDGKWAIATELIKGKTLAQIMQEEPENCDGYLDDMVELQLSIHAKKVTGISKLKDKLREEIESLDVIDHIKRYDLLTRLDSTPKHVKLCHGNFGPENIVVTDDNKVYIVDWIGASAGNASADVAKTYLKLALTSTETAEKYLNLFCKKTNTAKTYVQEWLPIMAASTLAKGVTSKEEKDLLFTWLDVVDYS
Consensus
[pKd Mean = 4.46]
-1038
(s=163)
17
(s=7)
MNEIKLGKKISEGKTVDVYESGDLAVKVFKPDAPKTVVFYEAFMDSKVEETGLNVPKIKEVELIDGKWAIATELIKGKTLAQIMQEEPENCDGYLDDMVELQLSIHAKKVTGISKLKDKLREEIESLDVIDHIKRYDLLTRLDSTPKHVKLCHGNFGPENIVVTDDNKVYIVDWIGASAGNASADVAKTYLKLALTSTETAEKYLNLFCKKTNTAKTYVQEWLPIMAASTLAKGVTSKEEKDLLFTWLDVVDYS