Study : Wbm0402 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: ACY_A_3(1NM2) / Model_37(1NM2/A) = [3.1] Download334.3343.87MIFAFPGQGSQFVGMGRDLYSQFSVAKQVFDEVDSILGRKLSHLIFNGPVEELTITENAQPAITAVSIATLRVMEHVFGKSLLSDHDVKYVCGHSVGEYTALCAAGALTLESTVKLLKARSEAMHKASLKCKGGMVALLGAEISEVEDILESAQIDEIYGIANDNGGGQVVVSGTAEALEILPGLFKNSSVRKLIKLQVSGPFHSSLMRPADEKILEFLESIDITHPSIPFVSNVTAKEESNPETIKILLAKQIVSRVKWREMVLHMASSGINEFVEIGPNKVLSNLVKRIDQSISTKNIGSISDIDSFFNRSPVLTVENLEVSLS
Complex: GLY_A_2(3TQE) / Model_29(3TQE/A) = [3.2] Download6173.0228.90MIFAFPGQGSQFVGMGRDLYSQFSVAKQVFDEVDSILGRKLSHLIFNGPVEELTITENAQPAITAVSIATLRVMEHVFGKSLLSDHDVKYVCGHSVGEYTALCAAGALTLESTVKLLKARSEAMHKASLKCKGGMVALLGAEISEVEDILESAQIDEIYGIANDNGGGQVVVSGTAEALEILPGLFKNSSVRKLIKLQVSGPFHSSLMRPADEKILEFLESIDITHPSIPFVSNVTAKEESNPETIKILLAKQIVSRVKWREMVLHMASSGINEFVEIGPNKVLSNLVKRIDQSISTKNIGSISDIDSFFNRSPVLTVENLEVSLS
Complex: COZ_B_2(2G2Z) / Model_9(2G2Z/A) = [3.9] Download2255.5928.52MIFAFPGQGSQFVGMGRDLYSQFSVAKQVFDEVDSILGRKLSHLIFNGPVEELTITENAQPAITAVSIATLRVMEHVFGKSLLSDHDVKYVCGHSVGEYTALCAAGALTLESTVKLLKARSEAMHKASLKCKGGMVALLGAEISEVEDILESAQIDEIYGIANDNGGGQVVVSGTAEALEILPGLFKNSSVRKLIKLQVSGPFHSSLMRPADEKILEFLESIDITHPSIPFVSNVTAKEESNPETIKILLAKQIVSRVKWREMVLHMASSGINEFVEIGPNKVLSNLVKRIDQSISTKNIGSISDIDSFFNRSPVLTVENLEVSLS
Consensus
[pKd Mean = 3.40]
-2920
(s=2429)
33
(s=7)
MIFAFPGQGSQFVGMGRDLYSQFSVAKQVFDEVDSILGRKLSHLIFNGPVEELTITENAQPAITAVSIATLRVMEHVFGKSLLSDHDVKYVCGHSVGEYTALCAAGALTLESTVKLLKARSEAMHKASLKCKGGMVALLGAEISEVEDILESAQIDEIYGIANDNGGGQVVVSGTAEALEILPGLFKNSSVRKLIKLQVSGPFHSSLMRPADEKILEFLESIDITHPSIPFVSNVTAKEESNPETIKILLAKQIVSRVKWREMVLHMASSGINEFVEIGPNKVLSNLVKRIDQSISTKNIGSISDIDSFFNRSPVLTVENLEVSLS