Study : Wbm0443 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: XMP_A_3(3UOW) / Model_51(3UOW/A) = [5.8] Download1215.9417.85MSAIAIIDFGSQFTQLIARQIREMDVYCEIFPSNISFETISKFNGFILSGGPQSVHDGCSEASGVAHEIIKFNEATNVPILGICYGQQLICHYFGAKVKKEFKQEFCKTKIKILKESSIVKDVWNVNSEVDVLMNHADSVETAPQGFTVIASGVINQTIAIVANEQRRIYCTQFHPEVKPTANGSKLLSNFLDIANCKRDWTMKSIIEKQKEKIKNVVGEKKVIAAVSGGVDSSVAVALTYKAVGKQLNCIFIDTGLLRKNQTIALLEEIPVNYVDKSNLFLSRLKGITDPEEKRKIIGNTFIEVFEEEAKKIGNADFLMQGTIYSDVVESGHASGNASTIKSHHNVGGLPEKMNLKLVEPLRYLFKDEVRLLGKEIGLSNEIIFQHPFPGPGLAVRVIGEVDEERVRILQEIDEIYINTMKNYDLYDKIWQAFAVLLPIRTVGVMGDGRTYGYVCALRAVTSFDGMTADAFPFENKSQHSLIFWDFLQNVSSIIVNNVSGVNRVVYDLTSKPPATIEWE
Complex: XMP_A_3(3UOW) / Model_5(3UOW/A) = [5.8] Download1331.9617.85MSAIAIIDFGSQFTQLIARQIREMDVYCEIFPSNISFETISKFNGFILSGGPQSVHDGCSEASGVAHEIIKFNEATNVPILGICYGQQLICHYFGAKVKKEFKQEFCKTKIKILKESSIVKDVWNVNSEVDVLMNHADSVETAPQGFTVIASGVINQTIAIVANEQRRIYCTQFHPEVKPTANGSKLLSNFLDIANCKRDWTMKSIIEKQKEKIKNVVGEKKVIAAVSGGVDSSVAVALTYKAVGKQLNCIFIDTGLLRKNQTIALLEEIPVNYVDKSNLFLSRLKGITDPEEKRKIIGNTFIEVFEEEAKKIGNADFLMQGTIYSDVVESGHASGNASTIKSHHNVGGLPEKMNLKLVEPLRYLFKDEVRLLGKEIGLSNEIIFQHPFPGPGLAVRVIGEVDEERVRILQEIDEIYINTMKNYDLYDKIWQAFAVLLPIRTVGVMGDGRTYGYVCALRAVTSFDGMTADAFPFENKSQHSLIFWDFLQNVSSIIVNNVSGVNRVVYDLTSKPPATIEWE
Consensus
[pKd Mean = 5.80]
-1273
(s=58)
17
(s=0)
MSAIAIIDFGSQFTQLIARQIREMDVYCEIFPSNISFETISKFNGFILSGGPQSVHDGCSEASGVAHEIIKFNEATNVPILGICYGQQLICHYFGAKVKKEFKQEFCKTKIKILKESSIVKDVWNVNSEVDVLMNHADSVETAPQGFTVIASGVINQTIAIVANEQRRIYCTQFHPEVKPTANGSKLLSNFLDIANCKRDWTMKSIIEKQKEKIKNVVGEKKVIAAVSGGVDSSVAVALTYKAVGKQLNCIFIDTGLLRKNQTIALLEEIPVNYVDKSNLFLSRLKGITDPEEKRKIIGNTFIEVFEEEAKKIGNADFLMQGTIYSDVVESGHASGNASTIKSHHNVGGLPEKMNLKLVEPLRYLFKDEVRLLGKEIGLSNEIIFQHPFPGPGLAVRVIGEVDEERVRILQEIDEIYINTMKNYDLYDKIWQAFAVLLPIRTVGVMGDGRTYGYVCALRAVTSFDGMTADAFPFENKSQHSLIFWDFLQNVSSIIVNNVSGVNRVVYDLTSKPPATIEWE