Study : PA4524 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: CHAIN_E_4(3GNN) / Model_22(3GNN/B) = [3.1] Download--MPNLTLADLQGEIQANVRTALAEDVGGGDLTAQLIDPQREAEARVITREHATIAGRAWVDEVFRQVDPRVLVTWQVEDGQRVEPNQMLFQLKGPARALLTGERSALNFLQLLSGTATRSQHYADLVAGTAVKLLDTRKTLPGLRLAQKYAVTCGGCHNHRIGLYDAFLIKENHIAACGGIDRAIAEARRIAPGKPVEVEVENLDELRQALEAGADIVMLDELSLDDMRTAVALTAGRAKLEASGGINEGTLRNIAETGVDYISIGTLTKDVRAVDLSMRLTL
Complex: EDO_C_9(3L0G) / Model_24(3L0G/C) = [3.1] Download265.093.79MPNLTLADLQGEIQANVRTALAEDVGGGDLTAQLIDPQREAEARVITREHATIAGRAWVDEVFRQVDPRVLVTWQVEDGQRVEPNQMLFQLKGPARALLTGERSALNFLQLLSGTATRSQHYADLVAGTAVKLLDTRKTLPGLRLAQKYAVTCGGCHNHRIGLYDAFLIKENHIAACGGIDRAIAEARRIAPGKPVEVEVENLDELRQALEAGADIVMLDELSLDDMRTAVALTAGRAKLEASGGINEGTLRNIAETGVDYISIGTLTKDVRAVDLSMRLTL
Complex: EDO_D_11(3L0G) / Model_23(3L0G/D) = [3.1] Download263.760.38MPNLTLADLQGEIQANVRTALAEDVGGGDLTAQLIDPQREAEARVITREHATIAGRAWVDEVFRQVDPRVLVTWQVEDGQRVEPNQMLFQLKGPARALLTGERSALNFLQLLSGTATRSQHYADLVAGTAVKLLDTRKTLPGLRLAQKYAVTCGGCHNHRIGLYDAFLIKENHIAACGGIDRAIAEARRIAPGKPVEVEVENLDELRQALEAGADIVMLDELSLDDMRTAVALTAGRAKLEASGGINEGTLRNIAETGVDYISIGTLTKDVRAVDLSMRLTL
Complex: EDO_A_5(3L0G) / Model_74(3L0G/A) = [3.1] Download249.890.38MPNLTLADLQGEIQANVRTALAEDVGGGDLTAQLIDPQREAEARVITREHATIAGRAWVDEVFRQVDPRVLVTWQVEDGQRVEPNQMLFQLKGPARALLTGERSALNFLQLLSGTATRSQHYADLVAGTAVKLLDTRKTLPGLRLAQKYAVTCGGCHNHRIGLYDAFLIKENHIAACGGIDRAIAEARRIAPGKPVEVEVENLDELRQALEAGADIVMLDELSLDDMRTAVALTAGRAKLEASGGINEGTLRNIAETGVDYISIGTLTKDVRAVDLSMRLTL
Complex: EDO_B_7(3L0G) / Model_25(3L0G/B) = [3.1] Download221.88-0.13MPNLTLADLQGEIQANVRTALAEDVGGGDLTAQLIDPQREAEARVITREHATIAGRAWVDEVFRQVDPRVLVTWQVEDGQRVEPNQMLFQLKGPARALLTGERSALNFLQLLSGTATRSQHYADLVAGTAVKLLDTRKTLPGLRLAQKYAVTCGGCHNHRIGLYDAFLIKENHIAACGGIDRAIAEARRIAPGKPVEVEVENLDELRQALEAGADIVMLDELSLDDMRTAVALTAGRAKLEASGGINEGTLRNIAETGVDYISIGTLTKDVRAVDLSMRLTL
Consensus
[pKd Mean = 3.10]
-250
(s=17)
1
(s=1)
MPNLTLADLQGEIQANVRTALAEDVGGGDLTAQLIDPQREAEARVITREHATIAGRAWVDEVFRQVDPRVLVTWQVEDGQRVEPNQMLFQLKGPARALLTGERSALNFLQLLSGTATRSQHYADLVAGTAVKLLDTRKTLPGLRLAQKYAVTCGGCHNHRIGLYDAFLIKENHIAACGGIDRAIAEARRIAPGKPVEVEVENLDELRQALEAGADIVMLDELSLDDMRTAVALTAGRAKLEASGGINEGTLRNIAETGVDYISIGTLTKDVRAVDLSMRLTL