Study : Rv2065 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: COJ_C_3(1I1H) / Model_3(1I1H/A) = [4.4] Download2539.0715.28MLDYLRDAAEIYRRSFAVIRAEADLARFPADVARVVVRLIHTCGQVDVAEHVAYTDDVVARAGAALAAGAPVLCDSSMVAAGITTSRLPADNQIVSLVADPRATELAARRQTTRSAAGVELCAERLPGAVLAIGNAPTALFRLLELVDEGAPPPAAVLGGPVGFVGSAQAKEELIERPRGMSYLVVRGRRGGSAMAAAAVNAIASDRE
Complex: 0UK_A_2(4FDV) / Model_4(4FDV/A) = [5.6] Download1928.1019.35MLDYLRDAAEIYRRSFAVIRAEADLARFPADVARVVVRLIHTCGQVDVAEHVAYTDDVVARAGAALAAGAPVLCDSSMVAAGITTSRLPADNQIVSLVADPRATELAARRQTTRSAAGVELCAERLPGAVLAIGNAPTALFRLLELVDEGAPPPAAVLGGPVGFVGSAQAKEELIERPRGMSYLVVRGRRGGSAMAAAAVNAIASDRE
Complex: P8X_A_2(4AU1) / Model_5(4AU1/A) = [5.8] Download1752.2617.96MLDYLRDAAEIYRRSFAVIRAEADLARFPADVARVVVRLIHTCGQVDVAEHVAYTDDVVARAGAALAAGAPVLCDSSMVAAGITTSRLPADNQIVSLVADPRATELAARRQTTRSAAGVELCAERLPGAVLAIGNAPTALFRLLELVDEGAPPPAAVLGGPVGFVGSAQAKEELIERPRGMSYLVVRGRRGGSAMAAAAVNAIASDRE
Complex: P8X_A_2(4AU1) / Model_16(4AU1/A) = [5.8] Download1830.8519.80MLDYLRDAAEIYRRSFAVIRAEADLARFPADVARVVVRLIHTCGQVDVAEHVAYTDDVVARAGAALAAGAPVLCDSSMVAAGITTSRLPADNQIVSLVADPRATELAARRQTTRSAAGVELCAERLPGAVLAIGNAPTALFRLLELVDEGAPPPAAVLGGPVGFVGSAQAKEELIERPRGMSYLVVRGRRGGSAMAAAAVNAIASDRE
Consensus
[pKd Mean = 5.40]		-2012
(s=310)		18
(s=1)		MLDYLRDAAEIYRRSFAVIRAEADLARFPADVARVVVRLIHTCGQVDVAEHVAYTDDVVARAGAALAAGAPVLCDSSMVAAGITTSRLPADNQIVSLVADPRATELAARRQTTRSAAGVELCAERLPGAVLAIGNAPTALFRLLELVDEGAPPPAAVLGGPVGFVGSAQAKEELIERPRGMSYLVVRGRRGGSAMAAAAVNAIASDRE