Study : Lmo1705 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: DCM_A_5(2JAT) / Model_2(2JAT/A) = [4.4] Download662.8912.44MEGVENKVIVLAGMIGAGKSSYTELIANELGTKAFYESIKDNRILEMFYDDPKRWAFALQIYFLNTRFRSIKAALTDQNNVLDRSIYEDALFTQINFEEGNISEPEMDTYLDLLDNMMEELAYMPKKAPDLLIYLRGSLDTVLSRIALRGRPYEQIDDNPGLLEYYKHLHSRYDSWFASYDKSETLVINIDEIDINKPNDADYVMQLIHEKLKR
Complex: DCM_B_8(2JAT) / Model_21(2JAT/B) = [4.5] Download692.9914.77MEGVENKVIVLAGMIGAGKSSYTELIANELGTKAFYESIKDNRILEMFYDDPKRWAFALQIYFLNTRFRSIKAALTDQNNVLDRSIYEDALFTQINFEEGNISEPEMDTYLDLLDNMMEELAYMPKKAPDLLIYLRGSLDTVLSRIALRGRPYEQIDDNPGLLEYYKHLHSRYDSWFASYDKSETLVINIDEIDINKPNDADYVMQLIHEKLKR
Complex: UDP_C_16(2A2Z) / Model_31(2A2Z/C) = [5.2] Download851.670.41MEGVENKVIVLAGMIGAGKSSYTELIANELGTKAFYESIKDNRILEMFYDDPKRWAFALQIYFLNTRFRSIKAALTDQNNVLDRSIYEDALFTQINFEEGNISEPEMDTYLDLLDNMMEELAYMPKKAPDLLIYLRGSLDTVLSRIALRGRPYEQIDDNPGLLEYYKHLHSRYDSWFASYDKSETLVINIDEIDINKPNDADYVMQLIHEKLKR
Complex: UDP_D_18(2A2Z) / Model_30(2A2Z/D) = [5.5] Download802.14-1.17MEGVENKVIVLAGMIGAGKSSYTELIANELGTKAFYESIKDNRILEMFYDDPKRWAFALQIYFLNTRFRSIKAALTDQNNVLDRSIYEDALFTQINFEEGNISEPEMDTYLDLLDNMMEELAYMPKKAPDLLIYLRGSLDTVLSRIALRGRPYEQIDDNPGLLEYYKHLHSRYDSWFASYDKSETLVINIDEIDINKPNDADYVMQLIHEKLKR
Complex: UDP_B_14(2A2Z) / Model_32(2A2Z/B) = [5.5] Download1054.002.00MEGVENKVIVLAGMIGAGKSSYTELIANELGTKAFYESIKDNRILEMFYDDPKRWAFALQIYFLNTRFRSIKAALTDQNNVLDRSIYEDALFTQINFEEGNISEPEMDTYLDLLDNMMEELAYMPKKAPDLLIYLRGSLDTVLSRIALRGRPYEQIDDNPGLLEYYKHLHSRYDSWFASYDKSETLVINIDEIDINKPNDADYVMQLIHEKLKR
Consensus
[pKd Mean = 5.02]
-812
(s=139)
5
(s=6)
MEGVENKVIVLAGMIGAGKSSYTELIANELGTKAFYESIKDNRILEMFYDDPKRWAFALQIYFLNTRFRSIKAALTDQNNVLDRSIYEDALFTQINFEEGNISEPEMDTYLDLLDNMMEELAYMPKKAPDLLIYLRGSLDTVLSRIALRGRPYEQIDDNPGLLEYYKHLHSRYDSWFASYDKSETLVINIDEIDINKPNDADYVMQLIHEKLKR