Study : SA0441 (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_4(4D3H/A) = [6.1] Download1091.2320.84MKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVINQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF
Complex: 2BA_A_2(4WK1) / Model_1(4WK1/A) = [6.2] Download1326.8420.84MKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVINQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF
Complex: 2BA_C_7(4RWW) / Model_16(4RWW/C) = [6.8] Download1250.1125.95MKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVINQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF
Complex: 2BA_C_6(4D3H) / Model_14(4D3H/C) = [6.9] Download1599.0844.29MKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVINQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF
Complex: 2BA_B_5(4D3H) / Model_15(4D3H/B) = [6.9] Download1380.3144.29MKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVINQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF
Consensus
[pKd Mean = 6.58]
-1329
(s=166)
31
(s=10)
MKMIIAIVQDQDSQELADQLVKNNFRATKLATTGGFLRAGNTTFLCGVNDDRVDEILSVINQTCGNREQLVSPITPMGGSADSYIPYPVEVEVGGATVFVMPVDAFHQF