Study : Lmo0043 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_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 C6_S1
Complex: CIR_A_3(1LXY) / Model_8(1LXY/A) = [3.2] Download152.04-1.71MKMEQALNITSEIGKLQTVLVKRPGSELENITPEYLESLLFDDIPYLKMMQKEHDFFAKTMRDSNIEVLYLEKLAAEALREANNKESFLTKMIKESNQMDESALYVRDYLMSFDEEEMIRKLMSGLKKSEIPERKKKHLNEMMDEQYPFFLDPLPNLYFTRDPAAVIGNGVTINRMFQPARRRESIFIELILKHHPRFSNQDIPVWSGRGEPFSLEGGDELVLNEETVLVGVSERTDARAVERLAESLFNRSPKIKRVLAVEIPETRSFMHLDTVFTMVNFAQFTIHPAIQNQQGELNIYILEKSENGLEITPRRDFQRVIAEVLDEPEIDFIPCGGEDVIVSAREQWNDGANTLAIAPGEVITYDRNQVSNDLLRSAGIKVHEVISSELSRGRGGPRCMTMPLVRENLK
Complex: CIR_B_4(1LXY) / Model_43(1LXY/B) = [3.3] Download174.16-4.67MKMEQALNITSEIGKLQTVLVKRPGSELENITPEYLESLLFDDIPYLKMMQKEHDFFAKTMRDSNIEVLYLEKLAAEALREANNKESFLTKMIKESNQMDESALYVRDYLMSFDEEEMIRKLMSGLKKSEIPERKKKHLNEMMDEQYPFFLDPLPNLYFTRDPAAVIGNGVTINRMFQPARRRESIFIELILKHHPRFSNQDIPVWSGRGEPFSLEGGDELVLNEETVLVGVSERTDARAVERLAESLFNRSPKIKRVLAVEIPETRSFMHLDTVFTMVNFAQFTIHPAIQNQQGELNIYILEKSENGLEITPRRDFQRVIAEVLDEPEIDFIPCGGEDVIVSAREQWNDGANTLAIAPGEVITYDRNQVSNDLLRSAGIKVHEVISSELSRGRGGPRCMTMPLVRENLK
Complex: ARG_A_3(1S9R) / Model_45(1S9R/A) = [3.4] Download12789.6621.31MKMEQALNITSEIGKLQTVLVKRPGSELENITPEYLESLLFDDIPYLKMMQKEHDFFAKTMRDSNIEVLYLEKLAAEALREANNKESFLTKMIKESNQMDESALYVRDYLMSFDEEEMIRKLMSGLKKSEIPERKKKHLNEMMDEQYPFFLDPLPNLYFTRDPAAVIGNGVTINRMFQPARRRESIFIELILKHHPRFSNQDIPVWSGRGEPFSLEGGDELVLNEETVLVGVSERTDARAVERLAESLFNRSPKIKRVLAVEIPETRSFMHLDTVFTMVNFAQFTIHPAIQNQQGELNIYILEKSENGLEITPRRDFQRVIAEVLDEPEIDFIPCGGEDVIVSAREQWNDGANTLAIAPGEVITYDRNQVSNDLLRSAGIKVHEVISSELSRGRGGPRCMTMPLVRENLK
Complex: ARG_A_3(1S9R) / Model_7(1S9R/A) = [3.4] Download13766.3222.42MKMEQALNITSEIGKLQTVLVKRPGSELENITPEYLESLLFDDIPYLKMMQKEHDFFAKTMRDSNIEVLYLEKLAAEALREANNKESFLTKMIKESNQMDESALYVRDYLMSFDEEEMIRKLMSGLKKSEIPERKKKHLNEMMDEQYPFFLDPLPNLYFTRDPAAVIGNGVTINRMFQPARRRESIFIELILKHHPRFSNQDIPVWSGRGEPFSLEGGDELVLNEETVLVGVSERTDARAVERLAESLFNRSPKIKRVLAVEIPETRSFMHLDTVFTMVNFAQFTIHPAIQNQQGELNIYILEKSENGLEITPRRDFQRVIAEVLDEPEIDFIPCGGEDVIVSAREQWNDGANTLAIAPGEVITYDRNQVSNDLLRSAGIKVHEVISSELSRGRGGPRCMTMPLVRENLK
Consensus
[pKd Mean = 3.33]		-6720
(s=6566)		9
(s=12)		MKMEQALNITSEIGKLQTVLVKRPGSELENITPEYLESLLFDDIPYLKMMQKEHDFFAKTMRDSNIEVLYLEKLAAEALREANNKESFLTKMIKESNQMDESALYVRDYLMSFDEEEMIRKLMSGLKKSEIPERKKKHLNEMMDEQYPFFLDPLPNLYFTRDPAAVIGNGVTINRMFQPARRRESIFIELILKHHPRFSNQDIPVWSGRGEPFSLEGGDELVLNEETVLVGVSERTDARAVERLAESLFNRSPKIKRVLAVEIPETRSFMHLDTVFTMVNFAQFTIHPAIQNQQGELNIYILEKSENGLEITPRRDFQRVIAEVLDEPEIDFIPCGGEDVIVSAREQWNDGANTLAIAPGEVITYDRNQVSNDLLRSAGIKVHEVISSELSRGRGGPRCMTMPLVRENLK