Study : PA1707 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: CHAIN_B_2(4AM9) / Model_4(4AM9/A) = [6.0] Download--MNQPTPSDTDQQQALEAFLRDGGTLAMLRGLSEDTLEQLYALGFNQYQAGKWDDAQKIFQALCMLDHYDARYFLGLGACRQSLGLYEQALQSYSYGALMDINEPRFPFHAAECHLQLGDLDGAESGFYSARALAAAQPAHEALAARAGAMLEAVTARKDRAYESDNA
Complex: CHAIN_D_4(4JL0) / Model_21(4JL0/B) = [6.8] Download--MNQPTPSDTDQQQALEAFLRDGGTLAMLRGLSEDTLEQLYALGFNQYQAGKWDDAQKIFQALCMLDHYDARYFLGLGACRQSLGLYEQALQSYSYGALMDINEPRFPFHAAECHLQLGDLDGAESGFYSARALAAAQPAHEALAARAGAMLEAVTARKDRAYESDNA
Complex: CHAIN_C_3(2XCB) / Model_1(2XCB/A) = [7.2] Download--MNQPTPSDTDQQQALEAFLRDGGTLAMLRGLSEDTLEQLYALGFNQYQAGKWDDAQKIFQALCMLDHYDARYFLGLGACRQSLGLYEQALQSYSYGALMDINEPRFPFHAAECHLQLGDLDGAESGFYSARALAAAQPAHEALAARAGAMLEAVTARKDRAYESDNA
Complex: CHAIN_C_3(4JL0) / Model_3(4JL0/A) = [7.5] Download--MNQPTPSDTDQQQALEAFLRDGGTLAMLRGLSEDTLEQLYALGFNQYQAGKWDDAQKIFQALCMLDHYDARYFLGLGACRQSLGLYEQALQSYSYGALMDINEPRFPFHAAECHLQLGDLDGAESGFYSARALAAAQPAHEALAARAGAMLEAVTARKDRAYESDNA
Consensus
[pKd Mean = 6.88]
-0
(s=0)
0
(s=0)
MNQPTPSDTDQQQALEAFLRDGGTLAMLRGLSEDTLEQLYALGFNQYQAGKWDDAQKIFQALCMLDHYDARYFLGLGACRQSLGLYEQALQSYSYGALMDINEPRFPFHAAECHLQLGDLDGAESGFYSARALAAAQPAHEALAARAGAMLEAVTARKDRAYESDNA