Study : PA2876 (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: C5P_B_4(2YYU) / Model_26(2YYU/B) = [3.6] Download1113.0014.35MSACQSPIIVALDFPTREAALALADQLDPKLCRVKVGKELFTSCAAGIVETLRGKGFEVFLDLKFHDIPNTTAMAVKAAAEMGVWMVNVHCSGGLRMMAACRETLEAFSGPRPLLIGVTVLTSMEREDLAGIGLDIEPQEQVLRLAALAQKAGMDGLVCSAQEAPALKAAHPGLQLVTPGIRPAGSAQDDQRRILTPRQALDAGSDYLVIGRPISQAADPAKALAAIVAELG
Complex: C5P_A_3(2YYU) / Model_8(2YYU/A) = [4.2] Download909.1115.11MSACQSPIIVALDFPTREAALALADQLDPKLCRVKVGKELFTSCAAGIVETLRGKGFEVFLDLKFHDIPNTTAMAVKAAAEMGVWMVNVHCSGGLRMMAACRETLEAFSGPRPLLIGVTVLTSMEREDLAGIGLDIEPQEQVLRLAALAQKAGMDGLVCSAQEAPALKAAHPGLQLVTPGIRPAGSAQDDQRRILTPRQALDAGSDYLVIGRPISQAADPAKALAAIVAELG
Complex: C5P_A_3(2YYU) / Model_34(2YYU/A) = [4.2] Download755.999.26MSACQSPIIVALDFPTREAALALADQLDPKLCRVKVGKELFTSCAAGIVETLRGKGFEVFLDLKFHDIPNTTAMAVKAAAEMGVWMVNVHCSGGLRMMAACRETLEAFSGPRPLLIGVTVLTSMEREDLAGIGLDIEPQEQVLRLAALAQKAGMDGLVCSAQEAPALKAAHPGLQLVTPGIRPAGSAQDDQRRILTPRQALDAGSDYLVIGRPISQAADPAKALAAIVAELG
Complex: U5P_A_3(3UWQ) / Model_2(3UWQ/A) = [6.0] Download958.8514.39MSACQSPIIVALDFPTREAALALADQLDPKLCRVKVGKELFTSCAAGIVETLRGKGFEVFLDLKFHDIPNTTAMAVKAAAEMGVWMVNVHCSGGLRMMAACRETLEAFSGPRPLLIGVTVLTSMEREDLAGIGLDIEPQEQVLRLAALAQKAGMDGLVCSAQEAPALKAAHPGLQLVTPGIRPAGSAQDDQRRILTPRQALDAGSDYLVIGRPISQAADPAKALAAIVAELG
Complex: BMQ_H_8(1EIX) / Model_23(1EIX/D) = [6.1] Download857.7619.90MSACQSPIIVALDFPTREAALALADQLDPKLCRVKVGKELFTSCAAGIVETLRGKGFEVFLDLKFHDIPNTTAMAVKAAAEMGVWMVNVHCSGGLRMMAACRETLEAFSGPRPLLIGVTVLTSMEREDLAGIGLDIEPQEQVLRLAALAQKAGMDGLVCSAQEAPALKAAHPGLQLVTPGIRPAGSAQDDQRRILTPRQALDAGSDYLVIGRPISQAADPAKALAAIVAELG
Consensus
[pKd Mean = 4.82]
-918
(s=118)
14
(s=3)
MSACQSPIIVALDFPTREAALALADQLDPKLCRVKVGKELFTSCAAGIVETLRGKGFEVFLDLKFHDIPNTTAMAVKAAAEMGVWMVNVHCSGGLRMMAACRETLEAFSGPRPLLIGVTVLTSMEREDLAGIGLDIEPQEQVLRLAALAQKAGMDGLVCSAQEAPALKAAHPGLQLVTPGIRPAGSAQDDQRRILTPRQALDAGSDYLVIGRPISQAADPAKALAAIVAELG