Study : Wbm0072 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: FMN_F_18(4RHE) / Model_21(4RHE/F) = [6.0] Download1291.59-2.24MNNRIVIGISGASGSIYGMHILKALKGADCETHLVISRAGKTTIAHEITERLEDITSLADFYYSEEKIGEKIASGSFKTSGMIVAPCSMKTMSEIASGVTSNLLTRAADVTLKERRKLVLIVRESPLHLGHLQNMLKLTEMGAIIAPPMPAFYTKPKSLEDIISHSISKVLSLFDIKLPDFKEWQGV
Complex: FMN_D_15(4RHE) / Model_23(4RHE/D) = [6.1] Download1075.77-2.24MNNRIVIGISGASGSIYGMHILKALKGADCETHLVISRAGKTTIAHEITERLEDITSLADFYYSEEKIGEKIASGSFKTSGMIVAPCSMKTMSEIASGVTSNLLTRAADVTLKERRKLVLIVRESPLHLGHLQNMLKLTEMGAIIAPPMPAFYTKPKSLEDIISHSISKVLSLFDIKLPDFKEWQGV
Complex: FMN_E_16(4RHE) / Model_22(4RHE/E) = [6.1] Download1186.54-2.24MNNRIVIGISGASGSIYGMHILKALKGADCETHLVISRAGKTTIAHEITERLEDITSLADFYYSEEKIGEKIASGSFKTSGMIVAPCSMKTMSEIASGVTSNLLTRAADVTLKERRKLVLIVRESPLHLGHLQNMLKLTEMGAIIAPPMPAFYTKPKSLEDIISHSISKVLSLFDIKLPDFKEWQGV
Complex: FMN_A_5(1SBZ) / Model_1(1SBZ/A) = [6.3] Download1137.36-0.80MNNRIVIGISGASGSIYGMHILKALKGADCETHLVISRAGKTTIAHEITERLEDITSLADFYYSEEKIGEKIASGSFKTSGMIVAPCSMKTMSEIASGVTSNLLTRAADVTLKERRKLVLIVRESPLHLGHLQNMLKLTEMGAIIAPPMPAFYTKPKSLEDIISHSISKVLSLFDIKLPDFKEWQGV
Complex: FMN_A_7(4RHE) / Model_14(4RHE/A) = [6.3] Download1069.76-2.24MNNRIVIGISGASGSIYGMHILKALKGADCETHLVISRAGKTTIAHEITERLEDITSLADFYYSEEKIGEKIASGSFKTSGMIVAPCSMKTMSEIASGVTSNLLTRAADVTLKERRKLVLIVRESPLHLGHLQNMLKLTEMGAIIAPPMPAFYTKPKSLEDIISHSISKVLSLFDIKLPDFKEWQGV
Consensus
[pKd Mean = 6.16]
-1152
(s=81)
-1
(s=1)
MNNRIVIGISGASGSIYGMHILKALKGADCETHLVISRAGKTTIAHEITERLEDITSLADFYYSEEKIGEKIASGSFKTSGMIVAPCSMKTMSEIASGVTSNLLTRAADVTLKERRKLVLIVRESPLHLGHLQNMLKLTEMGAIIAPPMPAFYTKPKSLEDIISHSISKVLSLFDIKLPDFKEWQGV