Study : Lmo1887 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: SAH_A_2(3LDG) / Model_19(3LDG/A) = [5.7] Download916.0731.23MKTFQLVATAASGLEAIVGKEVARLGYDPKVENGKVYFEGDLSAIARANLWLRVADRVKIVVGVFKATTFDELFEKTKALPWEDYLPLDAQFPVAGKSVKSTLYSVPDCQAIVKKAIVNRVSEKYRRSGRLMETGALFKLEVSILKDEVTLTIDTSGAGLHKRGYRLAQGSAPIKETMAAALVLLTSWHPDRPFYDPVCGSGTIPIEAALIGQNIAPGFNREFVSETWDWMPKQIWADARQEAEDLANYDQPLNIIGGDIDARLIEIAKQNAVEAGLGDLITFRQLQVADFQTEDEYGVVVANPPYGERLEDEEAVRQLYREMGIVYKRMPTWSVYVLTSYELFEEVYGKKATKKRKLYNGYLRTDLYQYWGPRKPRPKKED
Complex: GTP_A_2(3LDU) / Model_3(3LDU/A) = [6.8] Download1222.5430.45MKTFQLVATAASGLEAIVGKEVARLGYDPKVENGKVYFEGDLSAIARANLWLRVADRVKIVVGVFKATTFDELFEKTKALPWEDYLPLDAQFPVAGKSVKSTLYSVPDCQAIVKKAIVNRVSEKYRRSGRLMETGALFKLEVSILKDEVTLTIDTSGAGLHKRGYRLAQGSAPIKETMAAALVLLTSWHPDRPFYDPVCGSGTIPIEAALIGQNIAPGFNREFVSETWDWMPKQIWADARQEAEDLANYDQPLNIIGGDIDARLIEIAKQNAVEAGLGDLITFRQLQVADFQTEDEYGVVVANPPYGERLEDEEAVRQLYREMGIVYKRMPTWSVYVLTSYELFEEVYGKKATKKRKLYNGYLRTDLYQYWGPRKPRPKKED
Complex: GTP_A_2(3LDU) / Model_20(3LDU/A) = [6.8] Download1140.7630.45MKTFQLVATAASGLEAIVGKEVARLGYDPKVENGKVYFEGDLSAIARANLWLRVADRVKIVVGVFKATTFDELFEKTKALPWEDYLPLDAQFPVAGKSVKSTLYSVPDCQAIVKKAIVNRVSEKYRRSGRLMETGALFKLEVSILKDEVTLTIDTSGAGLHKRGYRLAQGSAPIKETMAAALVLLTSWHPDRPFYDPVCGSGTIPIEAALIGQNIAPGFNREFVSETWDWMPKQIWADARQEAEDLANYDQPLNIIGGDIDARLIEIAKQNAVEAGLGDLITFRQLQVADFQTEDEYGVVVANPPYGERLEDEEAVRQLYREMGIVYKRMPTWSVYVLTSYELFEEVYGKKATKKRKLYNGYLRTDLYQYWGPRKPRPKKED
Consensus
[pKd Mean = 6.43]
-1093
(s=129)
30
(s=0)
MKTFQLVATAASGLEAIVGKEVARLGYDPKVENGKVYFEGDLSAIARANLWLRVADRVKIVVGVFKATTFDELFEKTKALPWEDYLPLDAQFPVAGKSVKSTLYSVPDCQAIVKKAIVNRVSEKYRRSGRLMETGALFKLEVSILKDEVTLTIDTSGAGLHKRGYRLAQGSAPIKETMAAALVLLTSWHPDRPFYDPVCGSGTIPIEAALIGQNIAPGFNREFVSETWDWMPKQIWADARQEAEDLANYDQPLNIIGGDIDARLIEIAKQNAVEAGLGDLITFRQLQVADFQTEDEYGVVVANPPYGERLEDEEAVRQLYREMGIVYKRMPTWSVYVLTSYELFEEVYGKKATKKRKLYNGYLRTDLYQYWGPRKPRPKKED