Study : Wbm0480 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: TLA_A_3(4MRQ) / Model_1(4MRQ/A) = [3.7] Download693.75-15.35MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS
Complex: G16_A_2(2FKF) / Model_3(2FKF/A) = [4.3] Download1289.93-7.43MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS
Complex: R1P_X_2(2H4L) / Model_9(2H4L/X) = [4.3] Download500.18-7.52MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS
Complex: M1P_X_2(1PCJ) / Model_7(1PCJ/X) = [4.9] Download460.89-8.38MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS
Complex: G1P_X_2(3BKQ) / Model_12(3BKQ/X) = [4.9] Download622.94-11.00MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS
Consensus
[pKd Mean = 4.42]
-713
(s=300)
-9
(s=3)
MDNTIIRKYDIRGVVGKDLQINDGYEIGRKFGQTVANVCVGYDSRIDSPSIEKELIRGLTLSGANVIRIGLCSSPMLYAATQITQADLGIIITASHNPSDYNGFKFFSSEKVYLDQETKEIISSSIKNSTKIGSLINVNIYSQYIRVLKSAVKNNSTQKLKIAWDCGNSPASGILRYIETILPGHTHIIINNSIDGVFPLHNPDPIEEKNLVQLIDIVKQDKCDLGIALDGDSDRVRLIDNKGSIVSNDHLFMIFVREVLEECPRSKVIANVKMSMKVHDFVSKLGGQVVTCATGHSLVKKKMVEEGAKFAGELSGHFFFSELGFDDGLYSAIKAIDILLKQSQGLSQMIEDLPKLYITHEVKIVVKDEKKFQIIELIKKTLEQQNIAFSDLDGIKVTGNDNKGWWLLRVSNTQNCITARCEGDTLEDFELTKKVLFRYIDKAKSLDCNLS