Study : bsu00290 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 2BA_C_6(4D3H) / Model_5(4D3H/A) = [7.0] Download919.2623.85MKLIVAVVQDQDSNRLLKTLTDHNFRVTKLATTGGFLKSGNTTFMIGVEDIRVNKALSLIKENGQKRDQMIAPVSPMGGNADSYVPYPVEVEVGGATVFVLPVDEFHQF
Complex: 2BA_A_2(4WK1) / Model_24(4WK1/A) = [7.0] Download1257.7128.00MKLIVAVVQDQDSNRLLKTLTDHNFRVTKLATTGGFLKSGNTTFMIGVEDIRVNKALSLIKENGQKRDQMIAPVSPMGGNADSYVPYPVEVEVGGATVFVLPVDEFHQF
Complex: 2BA_A_2(4WK1) / Model_2(4WK1/A) = [7.0] Download1289.9028.00MKLIVAVVQDQDSNRLLKTLTDHNFRVTKLATTGGFLKSGNTTFMIGVEDIRVNKALSLIKENGQKRDQMIAPVSPMGGNADSYVPYPVEVEVGGATVFVLPVDEFHQF
Complex: 2BA_A_4(4D3H) / Model_19(4D3H/B) = [7.1] Download910.0620.00MKLIVAVVQDQDSNRLLKTLTDHNFRVTKLATTGGFLKSGNTTFMIGVEDIRVNKALSLIKENGQKRDQMIAPVSPMGGNADSYVPYPVEVEVGGATVFVLPVDEFHQF
Complex: 2BA_B_5(4D3H) / Model_18(4D3H/C) = [8.3] Download1142.3030.32MKLIVAVVQDQDSNRLLKTLTDHNFRVTKLATTGGFLKSGNTTFMIGVEDIRVNKALSLIKENGQKRDQMIAPVSPMGGNADSYVPYPVEVEVGGATVFVLPVDEFHQF
Consensus
[pKd Mean = 7.28]
-1103
(s=162)
26
(s=3)
MKLIVAVVQDQDSNRLLKTLTDHNFRVTKLATTGGFLKSGNTTFMIGVEDIRVNKALSLIKENGQKRDQMIAPVSPMGGNADSYVPYPVEVEVGGATVFVLPVDEFHQF