Study : bsu07330 (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: FMT_A_5(3ED5) / Model_33(3ED5/A) = [3.3] Download217.1139.75MKRYRTLLFDVDDTILDFQAAEALALRLLFEDQNIPLTNDMKAQYKTINQGLWRAFEEGKMTRDEVVNTRFSALLKEYGYEADGALLEQKYRRFLEEGHQLIDGAFDLISNLQQQFDLYIVTNGVSHTQYKRLRDSGLFPFFKDIFVSEDTGFQKPMKEYFNYVFERIPQFSAEHTLIIGDSLTADIKGGQLAGLDTCWMNPDMKPNVPEIIPTYEIRKLEELYHILNIENTVSC
Complex: GOL_A_6(3I76) / Model_1(3I76/A) = [3.3] Download605.884.95MKRYRTLLFDVDDTILDFQAAEALALRLLFEDQNIPLTNDMKAQYKTINQGLWRAFEEGKMTRDEVVNTRFSALLKEYGYEADGALLEQKYRRFLEEGHQLIDGAFDLISNLQQQFDLYIVTNGVSHTQYKRLRDSGLFPFFKDIFVSEDTGFQKPMKEYFNYVFERIPQFSAEHTLIIGDSLTADIKGGQLAGLDTCWMNPDMKPNVPEIIPTYEIRKLEELYHILNIENTVSC
Complex: FMT_A_5(3ED5) / Model_2(3ED5/A) = [3.3] Download242.9039.75MKRYRTLLFDVDDTILDFQAAEALALRLLFEDQNIPLTNDMKAQYKTINQGLWRAFEEGKMTRDEVVNTRFSALLKEYGYEADGALLEQKYRRFLEEGHQLIDGAFDLISNLQQQFDLYIVTNGVSHTQYKRLRDSGLFPFFKDIFVSEDTGFQKPMKEYFNYVFERIPQFSAEHTLIIGDSLTADIKGGQLAGLDTCWMNPDMKPNVPEIIPTYEIRKLEELYHILNIENTVSC
Consensus
[pKd Mean = 3.30]
-355
(s=177)
28
(s=16)
MKRYRTLLFDVDDTILDFQAAEALALRLLFEDQNIPLTNDMKAQYKTINQGLWRAFEEGKMTRDEVVNTRFSALLKEYGYEADGALLEQKYRRFLEEGHQLIDGAFDLISNLQQQFDLYIVTNGVSHTQYKRLRDSGLFPFFKDIFVSEDTGFQKPMKEYFNYVFERIPQFSAEHTLIIGDSLTADIKGGQLAGLDTCWMNPDMKPNVPEIIPTYEIRKLEELYHILNIENTVSC