Study : Wbm0539 (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: DPR_A_7(2EJ6) / Model_17(2EJ6/A) = [3.1] Download292.3216.50MISSIQEPNELRKRLQGFYRTDEKSYARYLVEKIELSADSKNRIYNIAKQVVEKIKGSKLDVIDSFMQQYSLSSDEGVALMCLAESLLRIPDDYTIDELIKDKIANQEWSKHLGRSSSLFVNASTWSLMIGSSVLRGNEEGPRFYHVISKLLKNFGEPIIRKAVKQAMLMLGKHFIVGETIEEALESIRSDSHSKFLCSFSILGEAAHTAENAEEYFNSYMHAIKAIGESTDTSDCFKSHGISIKFSSLHPRYEFCQFGNIAGELKTKVLELCHEAKKYNISLCIDAEESERLEMSLVLFEQLRLDESLSQWEGLGLAVQAYQKRALSVLDFVEDVAIRSKHKIMVRLVKGAYWDSEIKRTQELGLSSYPVFTRKSYTDVCYLACARKLLSKASHFYPCFGTHNAYTFATIVELADKNHPGFEFQRLHGIGKNLYDYAMSELATSIDCRIYAPVGKHSDLLPYLIRRLLENGANSSFVNQINGSDVKIEELISDPLEKAKSLGYEPHSSIPLPQDIFGEERKNSLGMDIGDSVTVSQFANDIKELSGKKWQVGPIINGESLFDSAKFIEVVNPAHLENVIGEVSNTTSDQALNALEVAHSAFIKWQNVSAEKRTVYLEKAADLLEEKMKELIYILIVEAGKVLSDAITEVREAVDFLRYYAIIARNELSNWKKLQGPTGEDNFIFFEGRGVFLCISPWNFPLAIFIGQVSAALAAGNAVLAKPAEQTPIIAYEAVKILHEAGIPKDVLHLIPGDGQYLGKALVPDNRISGVAFTGSTQTAQMINRMLASRNGPIVPFIAETGGLNAMIVDSSALLEQVTVDVLLSAFRSAGQRCSALKVLFIQEDIAEKQIKMICDAAQELKVGDPIQLSTDIGPIIDKASIDMLTKYTEKMSGDRDSSLLSKVPMDTNSHNGHFFSPYIYEIQKISQLKQEVFGPILHIIRFNKSQLNGVISDINNTGYGLTFSLQSRIQNQIDSISRKISVGNVYINRDQVGATVGVQPFGGRGLSGTGPKAGGPNYLQRFSTEKVVSVNTAAFGGNTKLMCLD
Complex: PRO_B_8(2EIW) / Model_29(2EIW/B) = [3.4] Download6812.2827.37MISSIQEPNELRKRLQGFYRTDEKSYARYLVEKIELSADSKNRIYNIAKQVVEKIKGSKLDVIDSFMQQYSLSSDEGVALMCLAESLLRIPDDYTIDELIKDKIANQEWSKHLGRSSSLFVNASTWSLMIGSSVLRGNEEGPRFYHVISKLLKNFGEPIIRKAVKQAMLMLGKHFIVGETIEEALESIRSDSHSKFLCSFSILGEAAHTAENAEEYFNSYMHAIKAIGESTDTSDCFKSHGISIKFSSLHPRYEFCQFGNIAGELKTKVLELCHEAKKYNISLCIDAEESERLEMSLVLFEQLRLDESLSQWEGLGLAVQAYQKRALSVLDFVEDVAIRSKHKIMVRLVKGAYWDSEIKRTQELGLSSYPVFTRKSYTDVCYLACARKLLSKASHFYPCFGTHNAYTFATIVELADKNHPGFEFQRLHGIGKNLYDYAMSELATSIDCRIYAPVGKHSDLLPYLIRRLLENGANSSFVNQINGSDVKIEELISDPLEKAKSLGYEPHSSIPLPQDIFGEERKNSLGMDIGDSVTVSQFANDIKELSGKKWQVGPIINGESLFDSAKFIEVVNPAHLENVIGEVSNTTSDQALNALEVAHSAFIKWQNVSAEKRTVYLEKAADLLEEKMKELIYILIVEAGKVLSDAITEVREAVDFLRYYAIIARNELSNWKKLQGPTGEDNFIFFEGRGVFLCISPWNFPLAIFIGQVSAALAAGNAVLAKPAEQTPIIAYEAVKILHEAGIPKDVLHLIPGDGQYLGKALVPDNRISGVAFTGSTQTAQMINRMLASRNGPIVPFIAETGGLNAMIVDSSALLEQVTVDVLLSAFRSAGQRCSALKVLFIQEDIAEKQIKMICDAAQELKVGDPIQLSTDIGPIIDKASIDMLTKYTEKMSGDRDSSLLSKVPMDTNSHNGHFFSPYIYEIQKISQLKQEVFGPILHIIRFNKSQLNGVISDINNTGYGLTFSLQSRIQNQIDSISRKISVGNVYINRDQVGATVGVQPFGGRGLSGTGPKAGGPNYLQRFSTEKVVSVNTAAFGGNTKLMCLD
Complex: FLC_B_11(2IY6) / Model_32(2IY6/B) = [3.4] Download382.1611.00MISSIQEPNELRKRLQGFYRTDEKSYARYLVEKIELSADSKNRIYNIAKQVVEKIKGSKLDVIDSFMQQYSLSSDEGVALMCLAESLLRIPDDYTIDELIKDKIANQEWSKHLGRSSSLFVNASTWSLMIGSSVLRGNEEGPRFYHVISKLLKNFGEPIIRKAVKQAMLMLGKHFIVGETIEEALESIRSDSHSKFLCSFSILGEAAHTAENAEEYFNSYMHAIKAIGESTDTSDCFKSHGISIKFSSLHPRYEFCQFGNIAGELKTKVLELCHEAKKYNISLCIDAEESERLEMSLVLFEQLRLDESLSQWEGLGLAVQAYQKRALSVLDFVEDVAIRSKHKIMVRLVKGAYWDSEIKRTQELGLSSYPVFTRKSYTDVCYLACARKLLSKASHFYPCFGTHNAYTFATIVELADKNHPGFEFQRLHGIGKNLYDYAMSELATSIDCRIYAPVGKHSDLLPYLIRRLLENGANSSFVNQINGSDVKIEELISDPLEKAKSLGYEPHSSIPLPQDIFGEERKNSLGMDIGDSVTVSQFANDIKELSGKKWQVGPIINGESLFDSAKFIEVVNPAHLENVIGEVSNTTSDQALNALEVAHSAFIKWQNVSAEKRTVYLEKAADLLEEKMKELIYILIVEAGKVLSDAITEVREAVDFLRYYAIIARNELSNWKKLQGPTGEDNFIFFEGRGVFLCISPWNFPLAIFIGQVSAALAAGNAVLAKPAEQTPIIAYEAVKILHEAGIPKDVLHLIPGDGQYLGKALVPDNRISGVAFTGSTQTAQMINRMLASRNGPIVPFIAETGGLNAMIVDSSALLEQVTVDVLLSAFRSAGQRCSALKVLFIQEDIAEKQIKMICDAAQELKVGDPIQLSTDIGPIIDKASIDMLTKYTEKMSGDRDSSLLSKVPMDTNSHNGHFFSPYIYEIQKISQLKQEVFGPILHIIRFNKSQLNGVISDINNTGYGLTFSLQSRIQNQIDSISRKISVGNVYINRDQVGATVGVQPFGGRGLSGTGPKAGGPNYLQRFSTEKVVSVNTAAFGGNTKLMCLD
Complex: FLC_A_3(2IY6) / Model_15(2IY6/A) = [3.5] Download338.8119.06MISSIQEPNELRKRLQGFYRTDEKSYARYLVEKIELSADSKNRIYNIAKQVVEKIKGSKLDVIDSFMQQYSLSSDEGVALMCLAESLLRIPDDYTIDELIKDKIANQEWSKHLGRSSSLFVNASTWSLMIGSSVLRGNEEGPRFYHVISKLLKNFGEPIIRKAVKQAMLMLGKHFIVGETIEEALESIRSDSHSKFLCSFSILGEAAHTAENAEEYFNSYMHAIKAIGESTDTSDCFKSHGISIKFSSLHPRYEFCQFGNIAGELKTKVLELCHEAKKYNISLCIDAEESERLEMSLVLFEQLRLDESLSQWEGLGLAVQAYQKRALSVLDFVEDVAIRSKHKIMVRLVKGAYWDSEIKRTQELGLSSYPVFTRKSYTDVCYLACARKLLSKASHFYPCFGTHNAYTFATIVELADKNHPGFEFQRLHGIGKNLYDYAMSELATSIDCRIYAPVGKHSDLLPYLIRRLLENGANSSFVNQINGSDVKIEELISDPLEKAKSLGYEPHSSIPLPQDIFGEERKNSLGMDIGDSVTVSQFANDIKELSGKKWQVGPIINGESLFDSAKFIEVVNPAHLENVIGEVSNTTSDQALNALEVAHSAFIKWQNVSAEKRTVYLEKAADLLEEKMKELIYILIVEAGKVLSDAITEVREAVDFLRYYAIIARNELSNWKKLQGPTGEDNFIFFEGRGVFLCISPWNFPLAIFIGQVSAALAAGNAVLAKPAEQTPIIAYEAVKILHEAGIPKDVLHLIPGDGQYLGKALVPDNRISGVAFTGSTQTAQMINRMLASRNGPIVPFIAETGGLNAMIVDSSALLEQVTVDVLLSAFRSAGQRCSALKVLFIQEDIAEKQIKMICDAAQELKVGDPIQLSTDIGPIIDKASIDMLTKYTEKMSGDRDSSLLSKVPMDTNSHNGHFFSPYIYEIQKISQLKQEVFGPILHIIRFNKSQLNGVISDINNTGYGLTFSLQSRIQNQIDSISRKISVGNVYINRDQVGATVGVQPFGGRGLSGTGPKAGGPNYLQRFSTEKVVSVNTAAFGGNTKLMCLD
Complex: GLU_B_4(2BHQ) / Model_41(2BHQ/B) = [3.7] Download14615.7430.78MISSIQEPNELRKRLQGFYRTDEKSYARYLVEKIELSADSKNRIYNIAKQVVEKIKGSKLDVIDSFMQQYSLSSDEGVALMCLAESLLRIPDDYTIDELIKDKIANQEWSKHLGRSSSLFVNASTWSLMIGSSVLRGNEEGPRFYHVISKLLKNFGEPIIRKAVKQAMLMLGKHFIVGETIEEALESIRSDSHSKFLCSFSILGEAAHTAENAEEYFNSYMHAIKAIGESTDTSDCFKSHGISIKFSSLHPRYEFCQFGNIAGELKTKVLELCHEAKKYNISLCIDAEESERLEMSLVLFEQLRLDESLSQWEGLGLAVQAYQKRALSVLDFVEDVAIRSKHKIMVRLVKGAYWDSEIKRTQELGLSSYPVFTRKSYTDVCYLACARKLLSKASHFYPCFGTHNAYTFATIVELADKNHPGFEFQRLHGIGKNLYDYAMSELATSIDCRIYAPVGKHSDLLPYLIRRLLENGANSSFVNQINGSDVKIEELISDPLEKAKSLGYEPHSSIPLPQDIFGEERKNSLGMDIGDSVTVSQFANDIKELSGKKWQVGPIINGESLFDSAKFIEVVNPAHLENVIGEVSNTTSDQALNALEVAHSAFIKWQNVSAEKRTVYLEKAADLLEEKMKELIYILIVEAGKVLSDAITEVREAVDFLRYYAIIARNELSNWKKLQGPTGEDNFIFFEGRGVFLCISPWNFPLAIFIGQVSAALAAGNAVLAKPAEQTPIIAYEAVKILHEAGIPKDVLHLIPGDGQYLGKALVPDNRISGVAFTGSTQTAQMINRMLASRNGPIVPFIAETGGLNAMIVDSSALLEQVTVDVLLSAFRSAGQRCSALKVLFIQEDIAEKQIKMICDAAQELKVGDPIQLSTDIGPIIDKASIDMLTKYTEKMSGDRDSSLLSKVPMDTNSHNGHFFSPYIYEIQKISQLKQEVFGPILHIIRFNKSQLNGVISDINNTGYGLTFSLQSRIQNQIDSISRKISVGNVYINRDQVGATVGVQPFGGRGLSGTGPKAGGPNYLQRFSTEKVVSVNTAAFGGNTKLMCLD
Consensus
[pKd Mean = 3.42]
-4488
(s=5650)
20
(s=7)
MISSIQEPNELRKRLQGFYRTDEKSYARYLVEKIELSADSKNRIYNIAKQVVEKIKGSKLDVIDSFMQQYSLSSDEGVALMCLAESLLRIPDDYTIDELIKDKIANQEWSKHLGRSSSLFVNASTWSLMIGSSVLRGNEEGPRFYHVISKLLKNFGEPIIRKAVKQAMLMLGKHFIVGETIEEALESIRSDSHSKFLCSFSILGEAAHTAENAEEYFNSYMHAIKAIGESTDTSDCFKSHGISIKFSSLHPRYEFCQFGNIAGELKTKVLELCHEAKKYNISLCIDAEESERLEMSLVLFEQLRLDESLSQWEGLGLAVQAYQKRALSVLDFVEDVAIRSKHKIMVRLVKGAYWDSEIKRTQELGLSSYPVFTRKSYTDVCYLACARKLLSKASHFYPCFGTHNAYTFATIVELADKNHPGFEFQRLHGIGKNLYDYAMSELATSIDCRIYAPVGKHSDLLPYLIRRLLENGANSSFVNQINGSDVKIEELISDPLEKAKSLGYEPHSSIPLPQDIFGEERKNSLGMDIGDSVTVSQFANDIKELSGKKWQVGPIINGESLFDSAKFIEVVNPAHLENVIGEVSNTTSDQALNALEVAHSAFIKWQNVSAEKRTVYLEKAADLLEEKMKELIYILIVEAGKVLSDAITEVREAVDFLRYYAIIARNELSNWKKLQGPTGEDNFIFFEGRGVFLCISPWNFPLAIFIGQVSAALAAGNAVLAKPAEQTPIIAYEAVKILHEAGIPKDVLHLIPGDGQYLGKALVPDNRISGVAFTGSTQTAQMINRMLASRNGPIVPFIAETGGLNAMIVDSSALLEQVTVDVLLSAFRSAGQRCSALKVLFIQEDIAEKQIKMICDAAQELKVGDPIQLSTDIGPIIDKASIDMLTKYTEKMSGDRDSSLLSKVPMDTNSHNGHFFSPYIYEIQKISQLKQEVFGPILHIIRFNKSQLNGVISDINNTGYGLTFSLQSRIQNQIDSISRKISVGNVYINRDQVGATVGVQPFGGRGLSGTGPKAGGPNYLQRFSTEKVVSVNTAAFGGNTKLMCLD