Study : jhp_0879 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: BEZ_F_18(1ONI) / Model_26(1ONI/F) = [3.3] Download588.4814.25MKEVIHSTLAPKAIGPYSQAIATNDLVFVSGQLGIDVSTGEFKGADIHSQTTQSMENIKAILKEAGLGMDSVVKTTILLKSLDDFAVVNGIYGSYFKEPYPARATFQVAKLPKDALVEIEAIAIK
Complex: BEZ_C_14(1ONI) / Model_29(1ONI/C) = [3.9] Download637.436.80MKEVIHSTLAPKAIGPYSQAIATNDLVFVSGQLGIDVSTGEFKGADIHSQTTQSMENIKAILKEAGLGMDSVVKTTILLKSLDDFAVVNGIYGSYFKEPYPARATFQVAKLPKDALVEIEAIAIK
Complex: BEZ_H_20(1ONI) / Model_24(1ONI/H) = [3.9] Download475.4714.25MKEVIHSTLAPKAIGPYSQAIATNDLVFVSGQLGIDVSTGEFKGADIHSQTTQSMENIKAILKEAGLGMDSVVKTTILLKSLDDFAVVNGIYGSYFKEPYPARATFQVAKLPKDALVEIEAIAIK
Complex: BEZ_D_16(1ONI) / Model_28(1ONI/D) = [4.1] Download550.7227.60MKEVIHSTLAPKAIGPYSQAIATNDLVFVSGQLGIDVSTGEFKGADIHSQTTQSMENIKAILKEAGLGMDSVVKTTILLKSLDDFAVVNGIYGSYFKEPYPARATFQVAKLPKDALVEIEAIAIK
Complex: BEZ_A_11(1ONI) / Model_4(1ONI/A) = [4.2] Download785.8115.33MKEVIHSTLAPKAIGPYSQAIATNDLVFVSGQLGIDVSTGEFKGADIHSQTTQSMENIKAILKEAGLGMDSVVKTTILLKSLDDFAVVNGIYGSYFKEPYPARATFQVAKLPKDALVEIEAIAIK
Consensus
[pKd Mean = 3.88]
-607
(s=103)
15
(s=6)
MKEVIHSTLAPKAIGPYSQAIATNDLVFVSGQLGIDVSTGEFKGADIHSQTTQSMENIKAILKEAGLGMDSVVKTTILLKSLDDFAVVNGIYGSYFKEPYPARATFQVAKLPKDALVEIEAIAIK