Study : Lmo2556 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: PGH_A_3(1GVF) / Model_54(1GVF/A) = [3.5] Download234.99-8.85MPIVNMTDMLKKALAGKYAVGQFNINNLEWTQAILKAAEAEKAPVILGVSEGAAKYMGGFKTVVKMTEGLVEDLKITVPVAIHLDHGSSFDSCKAAIDAGFSSVMIDGSHHPIDENIAMTKQVVDYAHAKGVSVEAEIGTVGGDEDGVTGGINYADPQECLRVVKEANIDALAAALGSVHGPYHGEPVLGFDEMKEISELTGAPLVLHGGSGIPEHQIKKAIELGHSKINVNTECQIVWTAAVREKLATDDKVYDPRKVIGPGVDAIIKTVTEKIQEFGSNGKA
Complex: PGH_A_3(1GVF) / Model_45(1GVF/A) = [3.5] Download249.20-8.85MPIVNMTDMLKKALAGKYAVGQFNINNLEWTQAILKAAEAEKAPVILGVSEGAAKYMGGFKTVVKMTEGLVEDLKITVPVAIHLDHGSSFDSCKAAIDAGFSSVMIDGSHHPIDENIAMTKQVVDYAHAKGVSVEAEIGTVGGDEDGVTGGINYADPQECLRVVKEANIDALAAALGSVHGPYHGEPVLGFDEMKEISELTGAPLVLHGGSGIPEHQIKKAIELGHSKINVNTECQIVWTAAVREKLATDDKVYDPRKVIGPGVDAIIKTVTEKIQEFGSNGKA
Complex: PGH_A_3(1GVF) / Model_13(1GVF/A) = [3.5] Download223.81-8.85MPIVNMTDMLKKALAGKYAVGQFNINNLEWTQAILKAAEAEKAPVILGVSEGAAKYMGGFKTVVKMTEGLVEDLKITVPVAIHLDHGSSFDSCKAAIDAGFSSVMIDGSHHPIDENIAMTKQVVDYAHAKGVSVEAEIGTVGGDEDGVTGGINYADPQECLRVVKEANIDALAAALGSVHGPYHGEPVLGFDEMKEISELTGAPLVLHGGSGIPEHQIKKAIELGHSKINVNTECQIVWTAAVREKLATDDKVYDPRKVIGPGVDAIIKTVTEKIQEFGSNGKA
Complex: PGH_A_5(2ISV) / Model_4(2ISV/A) = [3.6] Download232.11-1.29MPIVNMTDMLKKALAGKYAVGQFNINNLEWTQAILKAAEAEKAPVILGVSEGAAKYMGGFKTVVKMTEGLVEDLKITVPVAIHLDHGSSFDSCKAAIDAGFSSVMIDGSHHPIDENIAMTKQVVDYAHAKGVSVEAEIGTVGGDEDGVTGGINYADPQECLRVVKEANIDALAAALGSVHGPYHGEPVLGFDEMKEISELTGAPLVLHGGSGIPEHQIKKAIELGHSKINVNTECQIVWTAAVREKLATDDKVYDPRKVIGPGVDAIIKTVTEKIQEFGSNGKA
Complex: PGH_B_12(1GVF) / Model_38(1GVF/B) = [4.0] Download241.85-1.29MPIVNMTDMLKKALAGKYAVGQFNINNLEWTQAILKAAEAEKAPVILGVSEGAAKYMGGFKTVVKMTEGLVEDLKITVPVAIHLDHGSSFDSCKAAIDAGFSSVMIDGSHHPIDENIAMTKQVVDYAHAKGVSVEAEIGTVGGDEDGVTGGINYADPQECLRVVKEANIDALAAALGSVHGPYHGEPVLGFDEMKEISELTGAPLVLHGGSGIPEHQIKKAIELGHSKINVNTECQIVWTAAVREKLATDDKVYDPRKVIGPGVDAIIKTVTEKIQEFGSNGKA
Consensus
[pKd Mean = 3.62]
-236
(s=8)
-5
(s=3)
MPIVNMTDMLKKALAGKYAVGQFNINNLEWTQAILKAAEAEKAPVILGVSEGAAKYMGGFKTVVKMTEGLVEDLKITVPVAIHLDHGSSFDSCKAAIDAGFSSVMIDGSHHPIDENIAMTKQVVDYAHAKGVSVEAEIGTVGGDEDGVTGGINYADPQECLRVVKEANIDALAAALGSVHGPYHGEPVLGFDEMKEISELTGAPLVLHGGSGIPEHQIKKAIELGHSKINVNTECQIVWTAAVREKLATDDKVYDPRKVIGPGVDAIIKTVTEKIQEFGSNGKA