Study : Lmo1782 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: FMT_A_11(3W2Y) / Model_16(3W2Y/A) = [3.3] Download371.8820.33VKLISWNVNGLRAAVKKGFLEYFEEVDADIFCLQETKLQEGQIELDLPAYKDYWNYAVKKGYSGTAIFTKVEPLSVQYGLGIPEHDTEGRVITLEFEEFFMVTVYTPNSQAELKRLDYRMTFEDAILEYVKNLDNTKPVVLCGDLNVAHEEIDLKNPKTNRKNAGFSDEERAKFSAFLDAGFIDSFRYFYPDLTDAYSWWSYRMNARARNTGWRIDYFVVSERLKDKLVDAKIHADVLGSDHCPVELELNL
Complex: GOL_A_15(3G2D) / Model_54(3G2D/A) = [3.3] Download477.3820.33VKLISWNVNGLRAAVKKGFLEYFEEVDADIFCLQETKLQEGQIELDLPAYKDYWNYAVKKGYSGTAIFTKVEPLSVQYGLGIPEHDTEGRVITLEFEEFFMVTVYTPNSQAELKRLDYRMTFEDAILEYVKNLDNTKPVVLCGDLNVAHEEIDLKNPKTNRKNAGFSDEERAKFSAFLDAGFIDSFRYFYPDLTDAYSWWSYRMNARARNTGWRIDYFVVSERLKDKLVDAKIHADVLGSDHCPVELELNL
Complex: FMT_A_13(3W2Y) / Model_16(3W2Y/A) = [3.6] Download138.092.62VKLISWNVNGLRAAVKKGFLEYFEEVDADIFCLQETKLQEGQIELDLPAYKDYWNYAVKKGYSGTAIFTKVEPLSVQYGLGIPEHDTEGRVITLEFEEFFMVTVYTPNSQAELKRLDYRMTFEDAILEYVKNLDNTKPVVLCGDLNVAHEEIDLKNPKTNRKNAGFSDEERAKFSAFLDAGFIDSFRYFYPDLTDAYSWWSYRMNARARNTGWRIDYFVVSERLKDKLVDAKIHADVLGSDHCPVELELNL
Complex: NACID_Z_12(4B5M) / Model_59(4B5M/C) = [4.0] Download--VKLISWNVNGLRAAVKKGFLEYFEEVDADIFCLQETKLQEGQIELDLPAYKDYWNYAVKKGYSGTAIFTKVEPLSVQYGLGIPEHDTEGRVITLEFEEFFMVTVYTPNSQAELKRLDYRMTFEDAILEYVKNLDNTKPVVLCGDLNVAHEEIDLKNPKTNRKNAGFSDEERAKFSAFLDAGFIDSFRYFYPDLTDAYSWWSYRMNARARNTGWRIDYFVVSERLKDKLVDAKIHADVLGSDHCPVELELNL
Complex: NACID_F_3(3GA6) / Model_50(3GA6/A) = [4.1] Download--VKLISWNVNGLRAAVKKGFLEYFEEVDADIFCLQETKLQEGQIELDLPAYKDYWNYAVKKGYSGTAIFTKVEPLSVQYGLGIPEHDTEGRVITLEFEEFFMVTVYTPNSQAELKRLDYRMTFEDAILEYVKNLDNTKPVVLCGDLNVAHEEIDLKNPKTNRKNAGFSDEERAKFSAFLDAGFIDSFRYFYPDLTDAYSWWSYRMNARARNTGWRIDYFVVSERLKDKLVDAKIHADVLGSDHCPVELELNL
Consensus
[pKd Mean = 3.66]
-329
(s=141)
14
(s=8)
VKLISWNVNGLRAAVKKGFLEYFEEVDADIFCLQETKLQEGQIELDLPAYKDYWNYAVKKGYSGTAIFTKVEPLSVQYGLGIPEHDTEGRVITLEFEEFFMVTVYTPNSQAELKRLDYRMTFEDAILEYVKNLDNTKPVVLCGDLNVAHEEIDLKNPKTNRKNAGFSDEERAKFSAFLDAGFIDSFRYFYPDLTDAYSWWSYRMNARARNTGWRIDYFVVSERLKDKLVDAKIHADVLGSDHCPVELELNL