Study : Lmo1463 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: MRD_C_12(3DMO) / Model_30(3DMO/C) = [3.1] Download495.731.08MKENNFISLAKQAREFAYVPYSKFPVGAALVTKDDEVVLGCNIENASFGLTNCAERTAIFKAVSEGKRDFKQLVVVADTDGPVSPCGACRQVISEFCAPDMPVILTNLTGKTATVTVKELLPGAFTSEDML
Complex: THU_A_3(1UWZ) / Model_72(1UWZ/A) = [3.1] Download544.2914.61MKENNFISLAKQAREFAYVPYSKFPVGAALVTKDDEVVLGCNIENASFGLTNCAERTAIFKAVSEGKRDFKQLVVVADTDGPVSPCGACRQVISEFCAPDMPVILTNLTGKTATVTVKELLPGAFTSEDML
Complex: THU_B_5(1UWZ) / Model_23(1UWZ/B) = [3.1] Download721.7016.75MKENNFISLAKQAREFAYVPYSKFPVGAALVTKDDEVVLGCNIENASFGLTNCAERTAIFKAVSEGKRDFKQLVVVADTDGPVSPCGACRQVISEFCAPDMPVILTNLTGKTATVTVKELLPGAFTSEDML
Complex: MRD_D_13(3DMO) / Model_29(3DMO/D) = [3.1] Download579.2310.73MKENNFISLAKQAREFAYVPYSKFPVGAALVTKDDEVVLGCNIENASFGLTNCAERTAIFKAVSEGKRDFKQLVVVADTDGPVSPCGACRQVISEFCAPDMPVILTNLTGKTATVTVKELLPGAFTSEDML
Complex: MRD_A_10(3DMO) / Model_7(3DMO/A) = [3.2] Download663.491.00MKENNFISLAKQAREFAYVPYSKFPVGAALVTKDDEVVLGCNIENASFGLTNCAERTAIFKAVSEGKRDFKQLVVVADTDGPVSPCGACRQVISEFCAPDMPVILTNLTGKTATVTVKELLPGAFTSEDML
Consensus
[pKd Mean = 3.12]
-600
(s=81)
8
(s=6)
MKENNFISLAKQAREFAYVPYSKFPVGAALVTKDDEVVLGCNIENASFGLTNCAERTAIFKAVSEGKRDFKQLVVVADTDGPVSPCGACRQVISEFCAPDMPVILTNLTGKTATVTVKELLPGAFTSEDML