Study : PA5298 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: G4P_A_13(1Y0B) / Model_2(1Y0B/A) = [5.1] Download1227.8822.69MDILKDKIRSEGIVLSEHVLKVDAFLNHQIDPQLMQQVGHAFATRFRDQGITKIVTIEASGIAPAVMAGLELGVPVIFARKYQSLTLKDNLYISKVFSFTKQTESTIAISAKHLNAHDHVLVIDDFLANGHAAKALIDLIGQAGASIAGLGIVIEKSFQDGRALLESEGYRVESLARVKSLAGGQVEFLD
Complex: G4P_B_14(1Y0B) / Model_23(1Y0B/A) = [5.4] Download663.2925.67MDILKDKIRSEGIVLSEHVLKVDAFLNHQIDPQLMQQVGHAFATRFRDQGITKIVTIEASGIAPAVMAGLELGVPVIFARKYQSLTLKDNLYISKVFSFTKQTESTIAISAKHLNAHDHVLVIDDFLANGHAAKALIDLIGQAGASIAGLGIVIEKSFQDGRALLESEGYRVESLARVKSLAGGQVEFLD
Complex: 5GP_C_3(2FXV) / Model_1(2FXV/A) = [7.8] Download962.1321.75MDILKDKIRSEGIVLSEHVLKVDAFLNHQIDPQLMQQVGHAFATRFRDQGITKIVTIEASGIAPAVMAGLELGVPVIFARKYQSLTLKDNLYISKVFSFTKQTESTIAISAKHLNAHDHVLVIDDFLANGHAAKALIDLIGQAGASIAGLGIVIEKSFQDGRALLESEGYRVESLARVKSLAGGQVEFLD
Complex: 5GP_D_4(2FXV) / Model_21(2FXV/B) = [8.4] Download775.2020.66MDILKDKIRSEGIVLSEHVLKVDAFLNHQIDPQLMQQVGHAFATRFRDQGITKIVTIEASGIAPAVMAGLELGVPVIFARKYQSLTLKDNLYISKVFSFTKQTESTIAISAKHLNAHDHVLVIDDFLANGHAAKALIDLIGQAGASIAGLGIVIEKSFQDGRALLESEGYRVESLARVKSLAGGQVEFLD
Consensus
[pKd Mean = 6.68]
-907
(s=213)
22
(s=1)
MDILKDKIRSEGIVLSEHVLKVDAFLNHQIDPQLMQQVGHAFATRFRDQGITKIVTIEASGIAPAVMAGLELGVPVIFARKYQSLTLKDNLYISKVFSFTKQTESTIAISAKHLNAHDHVLVIDDFLANGHAAKALIDLIGQAGASIAGLGIVIEKSFQDGRALLESEGYRVESLARVKSLAGGQVEFLD