Study : Wbm0398 (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: FMT_A_4(1Q35) / Model_54(1Q35/A) = [3.5] Download317.33-3.50MKKALIFTSLVVVVLIVVTFLYKNNETNDLQVVNVYSSRKEELVRTLFDEFTRNTGIKVRYIIDDYSQLLSRMENGSGTDVFLTADAVNLILAKKRGLLSQVNSEILKRAIPEKFRDSEGYWFGLTKRTRILVYNKESVDPKDLSTYEDLANKKWKGKILVRSSTSPYNRSLIAFMIANNGFEKTKEWVSGIVSNMARKPSGGDTNQIYAVAAGEGDIAIVNSYYFARILSSERENKKNVANKLGVFFPNHDSNGVMVNISGAAVTKNAKNRENAIALLEFLVSKQAQELYAKKNQEYPIIEGVEVSNILKFWGDYPQSDLPLSELEKHLFEAVMIADECKWK
Complex: FMT_A_4(1Q35) / Model_8(1Q35/A) = [3.5] Download314.49-3.50MKKALIFTSLVVVVLIVVTFLYKNNETNDLQVVNVYSSRKEELVRTLFDEFTRNTGIKVRYIIDDYSQLLSRMENGSGTDVFLTADAVNLILAKKRGLLSQVNSEILKRAIPEKFRDSEGYWFGLTKRTRILVYNKESVDPKDLSTYEDLANKKWKGKILVRSSTSPYNRSLIAFMIANNGFEKTKEWVSGIVSNMARKPSGGDTNQIYAVAAGEGDIAIVNSYYFARILSSERENKKNVANKLGVFFPNHDSNGVMVNISGAAVTKNAKNRENAIALLEFLVSKQAQELYAKKNQEYPIIEGVEVSNILKFWGDYPQSDLPLSELEKHLFEAVMIADECKWK
Consensus
[pKd Mean = 3.50]
-315
(s=1)
-3
(s=0)
MKKALIFTSLVVVVLIVVTFLYKNNETNDLQVVNVYSSRKEELVRTLFDEFTRNTGIKVRYIIDDYSQLLSRMENGSGTDVFLTADAVNLILAKKRGLLSQVNSEILKRAIPEKFRDSEGYWFGLTKRTRILVYNKESVDPKDLSTYEDLANKKWKGKILVRSSTSPYNRSLIAFMIANNGFEKTKEWVSGIVSNMARKPSGGDTNQIYAVAAGEGDIAIVNSYYFARILSSERENKKNVANKLGVFFPNHDSNGVMVNISGAAVTKNAKNRENAIALLEFLVSKQAQELYAKKNQEYPIIEGVEVSNILKFWGDYPQSDLPLSELEKHLFEAVMIADECKWK