Study : Wbm0416 (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: CIT_C_3(1MRZ) / Model_43(1MRZ/A) = [4.1] Download799.350.45MKIIYDYERGIENNVALTFGNFDGIHLGHELAISTLKKIAQERGFPSAILTFEPHPSTILFNRNNFRLINQEQKKELISSYGIDYLYIINFNKGFSQISCDDFISKILIDRYNTKHIIVGESCTFGHKRLGNTLILRKHSETYGYSLTKLEPLTVNGKICSSSSIREHIQKGEIEIANKLLGRSYQVSGTVMKGALRGREIGFPTINIPIEDCMIKPKFGTYYAKVAFTSLDVIPARDAGIYRSQYQSNETTEGSAKGSFSGSGPSWLYGVVNIGMRPTFNDLKKPIVEMHIFDFNEDIYDRKVNIQLLKFIRSEKRFLSVDELTKQINHDILEAYQLRTDL
Complex: CIT_C_3(1MRZ) / Model_5(1MRZ/A) = [4.1] Download881.11-1.57MKIIYDYERGIENNVALTFGNFDGIHLGHELAISTLKKIAQERGFPSAILTFEPHPSTILFNRNNFRLINQEQKKELISSYGIDYLYIINFNKGFSQISCDDFISKILIDRYNTKHIIVGESCTFGHKRLGNTLILRKHSETYGYSLTKLEPLTVNGKICSSSSIREHIQKGEIEIANKLLGRSYQVSGTVMKGALRGREIGFPTINIPIEDCMIKPKFGTYYAKVAFTSLDVIPARDAGIYRSQYQSNETTEGSAKGSFSGSGPSWLYGVVNIGMRPTFNDLKKPIVEMHIFDFNEDIYDRKVNIQLLKFIRSEKRFLSVDELTKQINHDILEAYQLRTDL
Consensus
[pKd Mean = 4.10]
-840
(s=40)
0
(s=1)
MKIIYDYERGIENNVALTFGNFDGIHLGHELAISTLKKIAQERGFPSAILTFEPHPSTILFNRNNFRLINQEQKKELISSYGIDYLYIINFNKGFSQISCDDFISKILIDRYNTKHIIVGESCTFGHKRLGNTLILRKHSETYGYSLTKLEPLTVNGKICSSSSIREHIQKGEIEIANKLLGRSYQVSGTVMKGALRGREIGFPTINIPIEDCMIKPKFGTYYAKVAFTSLDVIPARDAGIYRSQYQSNETTEGSAKGSFSGSGPSWLYGVVNIGMRPTFNDLKKPIVEMHIFDFNEDIYDRKVNIQLLKFIRSEKRFLSVDELTKQINHDILEAYQLRTDL