Study : bsu23770 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: PLP_X_2(3SS9) / Model_2(3SS9/X) = [3.7] Download416.5726.85MSVHSEVLHALLKDPFIQKLIDAEPVFWANSGKKEGPLPRADEWATEIAEAEKRMQRFAPYIAEVFPETKGAKGIIESPLFEVQHMKGKLEAAYQQPFPGRWLLKCDHELPISGSIKARGGIYEVLKYAENLALQEGMLQETDDYRILQEERFTGFFSRYSIAVGSTGNLGLSIGIIGAALGFRVTVHMSADAKQWKKDLLRQKGVTVMEYETDYSEAVNEGRRQAEQDPFCYFIDDEHSRQLFLGYAVAASRLKTQLDCMNIKPSLETPLFVYLPCGVGGGPGGVAFGLKLLYGDDVHVFFAEPTHSPCMLLGLYSGLHEKISVQDIGLDNQTAADGLAVGRPSGFVGKLIEPLLSGCYTVEDNTLYTLLHMLAVSEDKYLEPSALAGMFGPVQLFSTEEGRRYAQKYKMEHAVHVVWGTGGSMVPKDEMAAYNRIGADLLKKRNEK
Complex: PLP_X_3(3SS7) / Model_1(3SS7/X) = [4.2] Download398.8720.61MSVHSEVLHALLKDPFIQKLIDAEPVFWANSGKKEGPLPRADEWATEIAEAEKRMQRFAPYIAEVFPETKGAKGIIESPLFEVQHMKGKLEAAYQQPFPGRWLLKCDHELPISGSIKARGGIYEVLKYAENLALQEGMLQETDDYRILQEERFTGFFSRYSIAVGSTGNLGLSIGIIGAALGFRVTVHMSADAKQWKKDLLRQKGVTVMEYETDYSEAVNEGRRQAEQDPFCYFIDDEHSRQLFLGYAVAASRLKTQLDCMNIKPSLETPLFVYLPCGVGGGPGGVAFGLKLLYGDDVHVFFAEPTHSPCMLLGLYSGLHEKISVQDIGLDNQTAADGLAVGRPSGFVGKLIEPLLSGCYTVEDNTLYTLLHMLAVSEDKYLEPSALAGMFGPVQLFSTEEGRRYAQKYKMEHAVHVVWGTGGSMVPKDEMAAYNRIGADLLKKRNEK
Complex: PLP_X_3(3SS7) / Model_22(3SS7/X) = [4.2] Download386.4420.61MSVHSEVLHALLKDPFIQKLIDAEPVFWANSGKKEGPLPRADEWATEIAEAEKRMQRFAPYIAEVFPETKGAKGIIESPLFEVQHMKGKLEAAYQQPFPGRWLLKCDHELPISGSIKARGGIYEVLKYAENLALQEGMLQETDDYRILQEERFTGFFSRYSIAVGSTGNLGLSIGIIGAALGFRVTVHMSADAKQWKKDLLRQKGVTVMEYETDYSEAVNEGRRQAEQDPFCYFIDDEHSRQLFLGYAVAASRLKTQLDCMNIKPSLETPLFVYLPCGVGGGPGGVAFGLKLLYGDDVHVFFAEPTHSPCMLLGLYSGLHEKISVQDIGLDNQTAADGLAVGRPSGFVGKLIEPLLSGCYTVEDNTLYTLLHMLAVSEDKYLEPSALAGMFGPVQLFSTEEGRRYAQKYKMEHAVHVVWGTGGSMVPKDEMAAYNRIGADLLKKRNEK
Consensus
[pKd Mean = 4.03]
-400
(s=12)
22
(s=3)
MSVHSEVLHALLKDPFIQKLIDAEPVFWANSGKKEGPLPRADEWATEIAEAEKRMQRFAPYIAEVFPETKGAKGIIESPLFEVQHMKGKLEAAYQQPFPGRWLLKCDHELPISGSIKARGGIYEVLKYAENLALQEGMLQETDDYRILQEERFTGFFSRYSIAVGSTGNLGLSIGIIGAALGFRVTVHMSADAKQWKKDLLRQKGVTVMEYETDYSEAVNEGRRQAEQDPFCYFIDDEHSRQLFLGYAVAASRLKTQLDCMNIKPSLETPLFVYLPCGVGGGPGGVAFGLKLLYGDDVHVFFAEPTHSPCMLLGLYSGLHEKISVQDIGLDNQTAADGLAVGRPSGFVGKLIEPLLSGCYTVEDNTLYTLLHMLAVSEDKYLEPSALAGMFGPVQLFSTEEGRRYAQKYKMEHAVHVVWGTGGSMVPKDEMAAYNRIGADLLKKRNEK