Study : Wbm0240 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: IPA_B_6(4NJZ) / Model_40(4NJZ/B) = [3.6] Download449.9516.53MSNKYYDSNNIFAQILRGELPCKKVYEDEDVLAFYDKYPDAPVHILVVPKSQYISYDDFIFKASAEEIVGFFKTVREITYKYNLEKTGYRLVTNCGENGEQVVPHFHMHILGGKRLGKHVNL
Complex: ADN_A_2(3O1C) / Model_4(3O1C/A) = [4.4] Download1011.4826.86MSNKYYDSNNIFAQILRGELPCKKVYEDEDVLAFYDKYPDAPVHILVVPKSQYISYDDFIFKASAEEIVGFFKTVREITYKYNLEKTGYRLVTNCGENGEQVVPHFHMHILGGKRLGKHVNL
Complex: ADN_A_2(3O1C) / Model_77(3O1C/A) = [4.4] Download856.7926.86MSNKYYDSNNIFAQILRGELPCKKVYEDEDVLAFYDKYPDAPVHILVVPKSQYISYDDFIFKASAEEIVGFFKTVREITYKYNLEKTGYRLVTNCGENGEQVVPHFHMHILGGKRLGKHVNL
Complex: ADN_A_2(3O1X) / Model_5(3O1X/A) = [4.6] Download856.9926.86MSNKYYDSNNIFAQILRGELPCKKVYEDEDVLAFYDKYPDAPVHILVVPKSQYISYDDFIFKASAEEIVGFFKTVREITYKYNLEKTGYRLVTNCGENGEQVVPHFHMHILGGKRLGKHVNL
Complex: AMP_I_15(4ZGL) / Model_23(4ZGL/I) = [4.8] Download866.7427.76MSNKYYDSNNIFAQILRGELPCKKVYEDEDVLAFYDKYPDAPVHILVVPKSQYISYDDFIFKASAEEIVGFFKTVREITYKYNLEKTGYRLVTNCGENGEQVVPHFHMHILGGKRLGKHVNL
Consensus
[pKd Mean = 4.36]
-808
(s=188)
24
(s=4)
MSNKYYDSNNIFAQILRGELPCKKVYEDEDVLAFYDKYPDAPVHILVVPKSQYISYDDFIFKASAEEIVGFFKTVREITYKYNLEKTGYRLVTNCGENGEQVVPHFHMHILGGKRLGKHVNL