Study : SA1946 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_A_2(3E8X) / Model_21(3E8X/A) = [10.4] Download2043.3728.23MNILVIGANGGVGSLLVQQLAKENVPFTAGVRQSDQLNALKSQGMKAILVDVENDSIETLTETFKPFDKVIFSVGSGGNTGADKTIIVDLDGAVKSMIASKEANIKHYVMVSTYDSRRQAFDDSGDLKPYTIAKHYADDYLRRSGLNYTILHPGALTNAAGSGKIEAAQYFDGKGEIPREDVATVLKEIVTSNHFNHQEFQIISGEQDIKDALTQFEIEKD
Complex: NAP_A_2(3E8X) / Model_1(3E8X/A) = [10.5] Download2055.5526.60MNILVIGANGGVGSLLVQQLAKENVPFTAGVRQSDQLNALKSQGMKAILVDVENDSIETLTETFKPFDKVIFSVGSGGNTGADKTIIVDLDGAVKSMIASKEANIKHYVMVSTYDSRRQAFDDSGDLKPYTIAKHYADDYLRRSGLNYTILHPGALTNAAGSGKIEAAQYFDGKGEIPREDVATVLKEIVTSNHFNHQEFQIISGEQDIKDALTQFEIEKD
Consensus
[pKd Mean = 10.45]
-2049
(s=6)
27
(s=0)
MNILVIGANGGVGSLLVQQLAKENVPFTAGVRQSDQLNALKSQGMKAILVDVENDSIETLTETFKPFDKVIFSVGSGGNTGADKTIIVDLDGAVKSMIASKEANIKHYVMVSTYDSRRQAFDDSGDLKPYTIAKHYADDYLRRSGLNYTILHPGALTNAAGSGKIEAAQYFDGKGEIPREDVATVLKEIVTSNHFNHQEFQIISGEQDIKDALTQFEIEKD