Study : Wbm0559 (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: FAD_C_3(1OJT) / Model_94(1OJT/A) = [10.4] Download766.1816.97MITRIPSVIYSLLNMRKLVSEYDIVVIGSGPGGYIAAIRAAQLGFKTAIIEKEKSLGGICLNWGCIPTKSLLRASKVYELIKRSEEFGIKVKDASFDIQSIVKSSRNVVGKLSSGVAYLMKKNGIKVYQGFGKLAGNHTIKVSSGREEQEISSRHIILATGVRMRNLHGIEADGDLLWNAQHAMTPDRLPKSLLIIGSGAIGIEFASFYSTLGVDVTIIEVKNAILPLEDKDISNLAQEIFTRKGIRIYTNNSVKAFTKGKNSIKVQLSSGESKEFDRVIVAVGIQASTESIGLENTKVKLSASGFVETNEWYETDESSVYAIGDIAGPPCLAHKASHEAVICIERIAGKNVRALRKECIPNCTYSHPQIASVGLTEEQAIKDGYDIKIGKFHSNFNGKSITLGETEGLVKVIIDKKTGELLGAHMIGVGVTELISNFVLVKQLEGTDCDIKSVVFPHPTISEMIHESVLAAYDESLNS
Complex: FAD_A_3(3LAD) / Model_98(3LAD/A) = [11.1] Download670.329.90MITRIPSVIYSLLNMRKLVSEYDIVVIGSGPGGYIAAIRAAQLGFKTAIIEKEKSLGGICLNWGCIPTKSLLRASKVYELIKRSEEFGIKVKDASFDIQSIVKSSRNVVGKLSSGVAYLMKKNGIKVYQGFGKLAGNHTIKVSSGREEQEISSRHIILATGVRMRNLHGIEADGDLLWNAQHAMTPDRLPKSLLIIGSGAIGIEFASFYSTLGVDVTIIEVKNAILPLEDKDISNLAQEIFTRKGIRIYTNNSVKAFTKGKNSIKVQLSSGESKEFDRVIVAVGIQASTESIGLENTKVKLSASGFVETNEWYETDESSVYAIGDIAGPPCLAHKASHEAVICIERIAGKNVRALRKECIPNCTYSHPQIASVGLTEEQAIKDGYDIKIGKFHSNFNGKSITLGETEGLVKVIIDKKTGELLGAHMIGVGVTELISNFVLVKQLEGTDCDIKSVVFPHPTISEMIHESVLAAYDESLNS
Complex: FAD_B_5(1EBD) / Model_69(1EBD/B) = [11.7] Download928.6919.93MITRIPSVIYSLLNMRKLVSEYDIVVIGSGPGGYIAAIRAAQLGFKTAIIEKEKSLGGICLNWGCIPTKSLLRASKVYELIKRSEEFGIKVKDASFDIQSIVKSSRNVVGKLSSGVAYLMKKNGIKVYQGFGKLAGNHTIKVSSGREEQEISSRHIILATGVRMRNLHGIEADGDLLWNAQHAMTPDRLPKSLLIIGSGAIGIEFASFYSTLGVDVTIIEVKNAILPLEDKDISNLAQEIFTRKGIRIYTNNSVKAFTKGKNSIKVQLSSGESKEFDRVIVAVGIQASTESIGLENTKVKLSASGFVETNEWYETDESSVYAIGDIAGPPCLAHKASHEAVICIERIAGKNVRALRKECIPNCTYSHPQIASVGLTEEQAIKDGYDIKIGKFHSNFNGKSITLGETEGLVKVIIDKKTGELLGAHMIGVGVTELISNFVLVKQLEGTDCDIKSVVFPHPTISEMIHESVLAAYDESLNS
Complex: FAD_A_3(2A8X) / Model_104(2A8X/A) = [12.0] Download787.1315.11MITRIPSVIYSLLNMRKLVSEYDIVVIGSGPGGYIAAIRAAQLGFKTAIIEKEKSLGGICLNWGCIPTKSLLRASKVYELIKRSEEFGIKVKDASFDIQSIVKSSRNVVGKLSSGVAYLMKKNGIKVYQGFGKLAGNHTIKVSSGREEQEISSRHIILATGVRMRNLHGIEADGDLLWNAQHAMTPDRLPKSLLIIGSGAIGIEFASFYSTLGVDVTIIEVKNAILPLEDKDISNLAQEIFTRKGIRIYTNNSVKAFTKGKNSIKVQLSSGESKEFDRVIVAVGIQASTESIGLENTKVKLSASGFVETNEWYETDESSVYAIGDIAGPPCLAHKASHEAVICIERIAGKNVRALRKECIPNCTYSHPQIASVGLTEEQAIKDGYDIKIGKFHSNFNGKSITLGETEGLVKVIIDKKTGELLGAHMIGVGVTELISNFVLVKQLEGTDCDIKSVVFPHPTISEMIHESVLAAYDESLNS
Complex: FAD_A_3(2QAE) / Model_93(2QAE/A) = [12.1] Download727.3012.85MITRIPSVIYSLLNMRKLVSEYDIVVIGSGPGGYIAAIRAAQLGFKTAIIEKEKSLGGICLNWGCIPTKSLLRASKVYELIKRSEEFGIKVKDASFDIQSIVKSSRNVVGKLSSGVAYLMKKNGIKVYQGFGKLAGNHTIKVSSGREEQEISSRHIILATGVRMRNLHGIEADGDLLWNAQHAMTPDRLPKSLLIIGSGAIGIEFASFYSTLGVDVTIIEVKNAILPLEDKDISNLAQEIFTRKGIRIYTNNSVKAFTKGKNSIKVQLSSGESKEFDRVIVAVGIQASTESIGLENTKVKLSASGFVETNEWYETDESSVYAIGDIAGPPCLAHKASHEAVICIERIAGKNVRALRKECIPNCTYSHPQIASVGLTEEQAIKDGYDIKIGKFHSNFNGKSITLGETEGLVKVIIDKKTGELLGAHMIGVGVTELISNFVLVKQLEGTDCDIKSVVFPHPTISEMIHESVLAAYDESLNS
Consensus
[pKd Mean = 11.46]
-775
(s=86)
14
(s=3)
MITRIPSVIYSLLNMRKLVSEYDIVVIGSGPGGYIAAIRAAQLGFKTAIIEKEKSLGGICLNWGCIPTKSLLRASKVYELIKRSEEFGIKVKDASFDIQSIVKSSRNVVGKLSSGVAYLMKKNGIKVYQGFGKLAGNHTIKVSSGREEQEISSRHIILATGVRMRNLHGIEADGDLLWNAQHAMTPDRLPKSLLIIGSGAIGIEFASFYSTLGVDVTIIEVKNAILPLEDKDISNLAQEIFTRKGIRIYTNNSVKAFTKGKNSIKVQLSSGESKEFDRVIVAVGIQASTESIGLENTKVKLSASGFVETNEWYETDESSVYAIGDIAGPPCLAHKASHEAVICIERIAGKNVRALRKECIPNCTYSHPQIASVGLTEEQAIKDGYDIKIGKFHSNFNGKSITLGETEGLVKVIIDKKTGELLGAHMIGVGVTELISNFVLVKQLEGTDCDIKSVVFPHPTISEMIHESVLAAYDESLNS