Study : Lmo0251 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: TBR_A_6(1DD4) / Model_7(1DD4/A) = [4.9] Download711.21-6.17MALNIEEIIASVKEASVLELNDLVKAIEEEFGVTAAAPVAVAAAGGAAAEQTEFTVELASAGDSKIKVIKVVREITGLGLKEAKELVDNAPKALKEGIAKDEAEEIKAKLEEVGANVEVK
Complex: TBR_A_5(1DD4) / Model_18(1DD4/B) = [5.5] Download851.13-10.45MALNIEEIIASVKEASVLELNDLVKAIEEEFGVTAAAPVAVAAAGGAAAEQTEFTVELASAGDSKIKVIKVVREITGLGLKEAKELVDNAPKALKEGIAKDEAEEIKAKLEEVGANVEVK
Consensus
[pKd Mean = 5.20]
-781
(s=69)
-8
(s=2)
MALNIEEIIASVKEASVLELNDLVKAIEEEFGVTAAAPVAVAAAGGAAAEQTEFTVELASAGDSKIKVIKVVREITGLGLKEAKELVDNAPKALKEGIAKDEAEEIKAKLEEVGANVEVK