Study : Lmo0078 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: FMT_A_2(3GA0) / Model_45(3GA0/A) = [3.3] Download250.865.71MTASVFVAGKLLPETMEALSKWDVKAFSGEENITEAELINNVTEVDAIICPLSSPISAKVLESAKNLKIVANIGAGFDNIDVKKAQELGIAVTNTPDVSTEATAELTLGLILDVARRISEGDRLCRETPEQFKGWAPTFFLGTELSGKTLGIIGLGRIGQAVAKRAAAFGMNIIYSGHQPKEAAKEWNAEFVSQKELLKRSDVVTIHAAYSPSLKHLLNETTLKTMKSSAFLINAARGPVVEEAALIKALETGVIAGAALDVFEFEPKIGEDFAKLDNVVLTPHIGNATVETRAAMGKIAIANVEAVLAGKAPLHSVY
Complex: GOL_A_5(2DBQ) / Model_3(2DBQ/A) = [3.4] Download579.752.33MTASVFVAGKLLPETMEALSKWDVKAFSGEENITEAELINNVTEVDAIICPLSSPISAKVLESAKNLKIVANIGAGFDNIDVKKAQELGIAVTNTPDVSTEATAELTLGLILDVARRISEGDRLCRETPEQFKGWAPTFFLGTELSGKTLGIIGLGRIGQAVAKRAAAFGMNIIYSGHQPKEAAKEWNAEFVSQKELLKRSDVVTIHAAYSPSLKHLLNETTLKTMKSSAFLINAARGPVVEEAALIKALETGVIAGAALDVFEFEPKIGEDFAKLDNVVLTPHIGNATVETRAAMGKIAIANVEAVLAGKAPLHSVY
Complex: 3CR_A_3(4U6Q) / Model_40(4U6Q/A) = [3.4] Download906.0216.84MTASVFVAGKLLPETMEALSKWDVKAFSGEENITEAELINNVTEVDAIICPLSSPISAKVLESAKNLKIVANIGAGFDNIDVKKAQELGIAVTNTPDVSTEATAELTLGLILDVARRISEGDRLCRETPEQFKGWAPTFFLGTELSGKTLGIIGLGRIGQAVAKRAAAFGMNIIYSGHQPKEAAKEWNAEFVSQKELLKRSDVVTIHAAYSPSLKHLLNETTLKTMKSSAFLINAARGPVVEEAALIKALETGVIAGAALDVFEFEPKIGEDFAKLDNVVLTPHIGNATVETRAAMGKIAIANVEAVLAGKAPLHSVY
Complex: ACY_C_3(1MX3) / Model_20(1MX3/A) = [4.0] Download354.809.62MTASVFVAGKLLPETMEALSKWDVKAFSGEENITEAELINNVTEVDAIICPLSSPISAKVLESAKNLKIVANIGAGFDNIDVKKAQELGIAVTNTPDVSTEATAELTLGLILDVARRISEGDRLCRETPEQFKGWAPTFFLGTELSGKTLGIIGLGRIGQAVAKRAAAFGMNIIYSGHQPKEAAKEWNAEFVSQKELLKRSDVVTIHAAYSPSLKHLLNETTLKTMKSSAFLINAARGPVVEEAALIKALETGVIAGAALDVFEFEPKIGEDFAKLDNVVLTPHIGNATVETRAAMGKIAIANVEAVLAGKAPLHSVY
Complex: NAD_E_5(2HU2) / Model_42(2HU2/A) = [5.5] Download1455.0819.33MTASVFVAGKLLPETMEALSKWDVKAFSGEENITEAELINNVTEVDAIICPLSSPISAKVLESAKNLKIVANIGAGFDNIDVKKAQELGIAVTNTPDVSTEATAELTLGLILDVARRISEGDRLCRETPEQFKGWAPTFFLGTELSGKTLGIIGLGRIGQAVAKRAAAFGMNIIYSGHQPKEAAKEWNAEFVSQKELLKRSDVVTIHAAYSPSLKHLLNETTLKTMKSSAFLINAARGPVVEEAALIKALETGVIAGAALDVFEFEPKIGEDFAKLDNVVLTPHIGNATVETRAAMGKIAIANVEAVLAGKAPLHSVY
Consensus
[pKd Mean = 3.92]
-709
(s=435)
10
(s=6)
MTASVFVAGKLLPETMEALSKWDVKAFSGEENITEAELINNVTEVDAIICPLSSPISAKVLESAKNLKIVANIGAGFDNIDVKKAQELGIAVTNTPDVSTEATAELTLGLILDVARRISEGDRLCRETPEQFKGWAPTFFLGTELSGKTLGIIGLGRIGQAVAKRAAAFGMNIIYSGHQPKEAAKEWNAEFVSQKELLKRSDVVTIHAAYSPSLKHLLNETTLKTMKSSAFLINAARGPVVEEAALIKALETGVIAGAALDVFEFEPKIGEDFAKLDNVVLTPHIGNATVETRAAMGKIAIANVEAVLAGKAPLHSVY