Study : Lmo2139 (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: POP_A_9(2D62) / Model_18(2D62/A) = [3.1] Download538.65-0.58VTLELHNVTKKFGTKVAVNDLSFRVEPGKILGLIGQNGAGKTTTFRLILHFLEATSGKITWDGKEVSKIDPNIIGYLPEERGLYPNVTIEEQLIFFAELKGYPKQKIKAEIDSWLERAEIVGKKTDLIKTLSKGNQQKIQLLSTIIHQPKLVILDEPFSGLDPVNAEILKKFVFDLRASGAAIIFSSHRMENVEELCDSLLMLKKGNVVLQGTTESVKSVFGRKRILIESSHSAAELATLPGVLNVQTHRDGVLQLEIAHESDAEKIFDYVTKDGFIQTFSLQAPTLEEIFKWKAGELNE
Complex: ADP_A_3(4P32) / Model_4(4P32/A) = [6.3] Download1158.822.19VTLELHNVTKKFGTKVAVNDLSFRVEPGKILGLIGQNGAGKTTTFRLILHFLEATSGKITWDGKEVSKIDPNIIGYLPEERGLYPNVTIEEQLIFFAELKGYPKQKIKAEIDSWLERAEIVGKKTDLIKTLSKGNQQKIQLLSTIIHQPKLVILDEPFSGLDPVNAEILKKFVFDLRASGAAIIFSSHRMENVEELCDSLLMLKKGNVVLQGTTESVKSVFGRKRILIESSHSAAELATLPGVLNVQTHRDGVLQLEIAHESDAEKIFDYVTKDGFIQTFSLQAPTLEEIFKWKAGELNE
Complex: ATP_A_3(4QC2) / Model_5(4QC2/A) = [7.0] Download927.76-3.38VTLELHNVTKKFGTKVAVNDLSFRVEPGKILGLIGQNGAGKTTTFRLILHFLEATSGKITWDGKEVSKIDPNIIGYLPEERGLYPNVTIEEQLIFFAELKGYPKQKIKAEIDSWLERAEIVGKKTDLIKTLSKGNQQKIQLLSTIIHQPKLVILDEPFSGLDPVNAEILKKFVFDLRASGAAIIFSSHRMENVEELCDSLLMLKKGNVVLQGTTESVKSVFGRKRILIESSHSAAELATLPGVLNVQTHRDGVLQLEIAHESDAEKIFDYVTKDGFIQTFSLQAPTLEEIFKWKAGELNE
Consensus
[pKd Mean = 5.47]
-875
(s=255)
0
(s=2)
VTLELHNVTKKFGTKVAVNDLSFRVEPGKILGLIGQNGAGKTTTFRLILHFLEATSGKITWDGKEVSKIDPNIIGYLPEERGLYPNVTIEEQLIFFAELKGYPKQKIKAEIDSWLERAEIVGKKTDLIKTLSKGNQQKIQLLSTIIHQPKLVILDEPFSGLDPVNAEILKKFVFDLRASGAAIIFSSHRMENVEELCDSLLMLKKGNVVLQGTTESVKSVFGRKRILIESSHSAAELATLPGVLNVQTHRDGVLQLEIAHESDAEKIFDYVTKDGFIQTFSLQAPTLEEIFKWKAGELNE