Study : Lmo2186 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: HEM_A_11(2O6P) / Model_29(2O6P/A) = [10.8] Download430.4741.71MKKVLVFAAFIVLFSFSFLSTGLTAQAALKDGTYSVDYTVIQGDSDSASMANDYFDKPATVTVNGGKSTVSLQVNHSKWITGLWVEGNAVSVTSKNASSDTRKVSFPVSTLSNPVNAKIKVDIDDDDLNYHHEYQIKLRFDEGSAKALAGAVKSSDNNTTTPATKSDSSNKVTNPKSSDSSQMFLYGIIFVATGAGLILLKRRAIFK
Complex: HEM_A_11(2O6P) / Model_49(2O6P/A) = [10.8] Download525.3137.31MKKVLVFAAFIVLFSFSFLSTGLTAQAALKDGTYSVDYTVIQGDSDSASMANDYFDKPATVTVNGGKSTVSLQVNHSKWITGLWVEGNAVSVTSKNASSDTRKVSFPVSTLSNPVNAKIKVDIDDDDLNYHHEYQIKLRFDEGSAKALAGAVKSSDNNTTTPATKSDSSNKVTNPKSSDSSQMFLYGIIFVATGAGLILLKRRAIFK
Complex: HEM_A_11(2O6P) / Model_1(2O6P/A) = [10.8] Download551.4841.67MKKVLVFAAFIVLFSFSFLSTGLTAQAALKDGTYSVDYTVIQGDSDSASMANDYFDKPATVTVNGGKSTVSLQVNHSKWITGLWVEGNAVSVTSKNASSDTRKVSFPVSTLSNPVNAKIKVDIDDDDLNYHHEYQIKLRFDEGSAKALAGAVKSSDNNTTTPATKSDSSNKVTNPKSSDSSQMFLYGIIFVATGAGLILLKRRAIFK
Complex: HEM_B_12(2O6P) / Model_21(2O6P/B) = [11.4] Download370.3537.62MKKVLVFAAFIVLFSFSFLSTGLTAQAALKDGTYSVDYTVIQGDSDSASMANDYFDKPATVTVNGGKSTVSLQVNHSKWITGLWVEGNAVSVTSKNASSDTRKVSFPVSTLSNPVNAKIKVDIDDDDLNYHHEYQIKLRFDEGSAKALAGAVKSSDNNTTTPATKSDSSNKVTNPKSSDSSQMFLYGIIFVATGAGLILLKRRAIFK
Consensus
[pKd Mean = 10.95]
-469
(s=72)
39
(s=2)
MKKVLVFAAFIVLFSFSFLSTGLTAQAALKDGTYSVDYTVIQGDSDSASMANDYFDKPATVTVNGGKSTVSLQVNHSKWITGLWVEGNAVSVTSKNASSDTRKVSFPVSTLSNPVNAKIKVDIDDDDLNYHHEYQIKLRFDEGSAKALAGAVKSSDNNTTTPATKSDSSNKVTNPKSSDSSQMFLYGIIFVATGAGLILLKRRAIFK