Study : Wbm0543 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: U5P_A_4(2GUI) / Model_3(2GUI/A) = [4.4] Download1138.260.00MENKLREIVLDTETTGLDIESGHRIIEIGCVELINRIPTGKVFHKYLNPERDIPYHSFKIHGISEEFLEDKPLFSDVVFEFLDFISGDILIIHNAEFDIKFLNMELGKLNARLISSDRVLDTLPLARKKFVGSPASLSALCKRFDISLENRELHGALTDAGLLAKVYVELTGGLQTFLFDNECKQDHNSAFIQHKVRNLTCREHSPSNEEINEHRKLLGKIDNPLWKERIE
Complex: TMP_A_4(1J54) / Model_46(1J54/A) = [4.5] Download1135.160.00MENKLREIVLDTETTGLDIESGHRIIEIGCVELINRIPTGKVFHKYLNPERDIPYHSFKIHGISEEFLEDKPLFSDVVFEFLDFISGDILIIHNAEFDIKFLNMELGKLNARLISSDRVLDTLPLARKKFVGSPASLSALCKRFDISLENRELHGALTDAGLLAKVYVELTGGLQTFLFDNECKQDHNSAFIQHKVRNLTCREHSPSNEEINEHRKLLGKIDNPLWKERIE
Complex: TMP_A_4(1J54) / Model_2(1J54/A) = [4.5] Download1164.010.00MENKLREIVLDTETTGLDIESGHRIIEIGCVELINRIPTGKVFHKYLNPERDIPYHSFKIHGISEEFLEDKPLFSDVVFEFLDFISGDILIIHNAEFDIKFLNMELGKLNARLISSDRVLDTLPLARKKFVGSPASLSALCKRFDISLENRELHGALTDAGLLAKVYVELTGGLQTFLFDNECKQDHNSAFIQHKVRNLTCREHSPSNEEINEHRKLLGKIDNPLWKERIE
Complex: TMP_C_11(2IDO) / Model_21(2IDO/C) = [4.5] Download1112.733.75MENKLREIVLDTETTGLDIESGHRIIEIGCVELINRIPTGKVFHKYLNPERDIPYHSFKIHGISEEFLEDKPLFSDVVFEFLDFISGDILIIHNAEFDIKFLNMELGKLNARLISSDRVLDTLPLARKKFVGSPASLSALCKRFDISLENRELHGALTDAGLLAKVYVELTGGLQTFLFDNECKQDHNSAFIQHKVRNLTCREHSPSNEEINEHRKLLGKIDNPLWKERIE
Complex: TMP_A_4(1J54) / Model_42(1J54/A) = [4.5] Download999.410.00MENKLREIVLDTETTGLDIESGHRIIEIGCVELINRIPTGKVFHKYLNPERDIPYHSFKIHGISEEFLEDKPLFSDVVFEFLDFISGDILIIHNAEFDIKFLNMELGKLNARLISSDRVLDTLPLARKKFVGSPASLSALCKRFDISLENRELHGALTDAGLLAKVYVELTGGLQTFLFDNECKQDHNSAFIQHKVRNLTCREHSPSNEEINEHRKLLGKIDNPLWKERIE
Consensus
[pKd Mean = 4.48]
-1109
(s=57)
0
(s=1)
MENKLREIVLDTETTGLDIESGHRIIEIGCVELINRIPTGKVFHKYLNPERDIPYHSFKIHGISEEFLEDKPLFSDVVFEFLDFISGDILIIHNAEFDIKFLNMELGKLNARLISSDRVLDTLPLARKKFVGSPASLSALCKRFDISLENRELHGALTDAGLLAKVYVELTGGLQTFLFDNECKQDHNSAFIQHKVRNLTCREHSPSNEEINEHRKLLGKIDNPLWKERIE