Study : bsu35480 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: ELA_A_2(3LUP) / Model_28(3LUP/A) = [4.3] Download620.2525.57MNIAVVTDSTAYIPKEMREQHQIHMIPLQVVFREETYREEIELDWKSFYEEVKKHNELPTTSQPPIGELVALYEELGKSYDAVISIHLSSGISGTFSSAAAADSMVDNIDVYPFDSEISCLAQGFYALKAAELIKNGASSPEDIIKELEEMKKTVRAYFMVDDLAHLQRGGRLSSAQAFIGSLLKVKPILHFDNKVIVPFEKIRTRKKAISRIYELLDEDASKGLPMRAAVIHANREEEAAKIIEELSAKYPHVEFYNSYFGAVIGTHLGEGALGICWCFK
Complex: PLM_A_2(1MGP) / Model_34(1MGP/A) = [4.9] Download484.5828.96MNIAVVTDSTAYIPKEMREQHQIHMIPLQVVFREETYREEIELDWKSFYEEVKKHNELPTTSQPPIGELVALYEELGKSYDAVISIHLSSGISGTFSSAAAADSMVDNIDVYPFDSEISCLAQGFYALKAAELIKNGASSPEDIIKELEEMKKTVRAYFMVDDLAHLQRGGRLSSAQAFIGSLLKVKPILHFDNKVIVPFEKIRTRKKAISRIYELLDEDASKGLPMRAAVIHANREEEAAKIIEELSAKYPHVEFYNSYFGAVIGTHLGEGALGICWCFK
Complex: ELA_A_2(3LUP) / Model_5(3LUP/A) = [5.6] Download837.3131.31MNIAVVTDSTAYIPKEMREQHQIHMIPLQVVFREETYREEIELDWKSFYEEVKKHNELPTTSQPPIGELVALYEELGKSYDAVISIHLSSGISGTFSSAAAADSMVDNIDVYPFDSEISCLAQGFYALKAAELIKNGASSPEDIIKELEEMKKTVRAYFMVDDLAHLQRGGRLSSAQAFIGSLLKVKPILHFDNKVIVPFEKIRTRKKAISRIYELLDEDASKGLPMRAAVIHANREEEAAKIIEELSAKYPHVEFYNSYFGAVIGTHLGEGALGICWCFK
Complex: PLM_A_2(3FYS) / Model_29(3FYS/A) = [7.9] Download548.1527.54MNIAVVTDSTAYIPKEMREQHQIHMIPLQVVFREETYREEIELDWKSFYEEVKKHNELPTTSQPPIGELVALYEELGKSYDAVISIHLSSGISGTFSSAAAADSMVDNIDVYPFDSEISCLAQGFYALKAAELIKNGASSPEDIIKELEEMKKTVRAYFMVDDLAHLQRGGRLSSAQAFIGSLLKVKPILHFDNKVIVPFEKIRTRKKAISRIYELLDEDASKGLPMRAAVIHANREEEAAKIIEELSAKYPHVEFYNSYFGAVIGTHLGEGALGICWCFK
Consensus
[pKd Mean = 5.67]
-622
(s=132)
28
(s=2)
MNIAVVTDSTAYIPKEMREQHQIHMIPLQVVFREETYREEIELDWKSFYEEVKKHNELPTTSQPPIGELVALYEELGKSYDAVISIHLSSGISGTFSSAAAADSMVDNIDVYPFDSEISCLAQGFYALKAAELIKNGASSPEDIIKELEEMKKTVRAYFMVDDLAHLQRGGRLSSAQAFIGSLLKVKPILHFDNKVIVPFEKIRTRKKAISRIYELLDEDASKGLPMRAAVIHANREEEAAKIIEELSAKYPHVEFYNSYFGAVIGTHLGEGALGICWCFK