Study : bsu40880 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: NACID_V_8(4B5M) / Model_71(4B5M/A) = [3.2] Download--MKLISWNVNGLRAVMRKMDFLSYLKEEDADIICLQETKIQDGQVDLQPEDYHVYWNYAVKKGYSGTAVFSKQEPLQVIYGIGVEEHDQEGRVITLEFENVFVMTVYTPNSRRGLERIDYRMQWEEALLSYILELDQKKPVILCGDLNVAHQEIDLKNPKANRNNAGFSDQEREAFTRFLEAGFVDSFRHVYPDLEGAYSWWSYRAGARDRNIGWRIDYFVVSESLKEQIEDASISADVMGSDHCPVELIINI
Complex: GOL_A_15(3G2D) / Model_61(3G2D/A) = [3.3] Download443.0713.14MKLISWNVNGLRAVMRKMDFLSYLKEEDADIICLQETKIQDGQVDLQPEDYHVYWNYAVKKGYSGTAVFSKQEPLQVIYGIGVEEHDQEGRVITLEFENVFVMTVYTPNSRRGLERIDYRMQWEEALLSYILELDQKKPVILCGDLNVAHQEIDLKNPKANRNNAGFSDQEREAFTRFLEAGFVDSFRHVYPDLEGAYSWWSYRAGARDRNIGWRIDYFVVSESLKEQIEDASISADVMGSDHCPVELIINI
Complex: NACID_Z_9(4B5G) / Model_76(4B5G/A) = [3.3] Download--MKLISWNVNGLRAVMRKMDFLSYLKEEDADIICLQETKIQDGQVDLQPEDYHVYWNYAVKKGYSGTAVFSKQEPLQVIYGIGVEEHDQEGRVITLEFENVFVMTVYTPNSRRGLERIDYRMQWEEALLSYILELDQKKPVILCGDLNVAHQEIDLKNPKANRNNAGFSDQEREAFTRFLEAGFVDSFRHVYPDLEGAYSWWSYRAGARDRNIGWRIDYFVVSESLKEQIEDASISADVMGSDHCPVELIINI
Complex: FMT_A_11(3W2Y) / Model_68(3W2Y/A) = [3.3] Download301.0020.00MKLISWNVNGLRAVMRKMDFLSYLKEEDADIICLQETKIQDGQVDLQPEDYHVYWNYAVKKGYSGTAVFSKQEPLQVIYGIGVEEHDQEGRVITLEFENVFVMTVYTPNSRRGLERIDYRMQWEEALLSYILELDQKKPVILCGDLNVAHQEIDLKNPKANRNNAGFSDQEREAFTRFLEAGFVDSFRHVYPDLEGAYSWWSYRAGARDRNIGWRIDYFVVSESLKEQIEDASISADVMGSDHCPVELIINI
Complex: NACID_V_4(5DFJ) / Model_20(5DFJ/A) = [3.3] Download--MKLISWNVNGLRAVMRKMDFLSYLKEEDADIICLQETKIQDGQVDLQPEDYHVYWNYAVKKGYSGTAVFSKQEPLQVIYGIGVEEHDQEGRVITLEFENVFVMTVYTPNSRRGLERIDYRMQWEEALLSYILELDQKKPVILCGDLNVAHQEIDLKNPKANRNNAGFSDQEREAFTRFLEAGFVDSFRHVYPDLEGAYSWWSYRAGARDRNIGWRIDYFVVSESLKEQIEDASISADVMGSDHCPVELIINI
Consensus
[pKd Mean = 3.28]
-372
(s=71)
16
(s=3)
MKLISWNVNGLRAVMRKMDFLSYLKEEDADIICLQETKIQDGQVDLQPEDYHVYWNYAVKKGYSGTAVFSKQEPLQVIYGIGVEEHDQEGRVITLEFENVFVMTVYTPNSRRGLERIDYRMQWEEALLSYILELDQKKPVILCGDLNVAHQEIDLKNPKANRNNAGFSDQEREAFTRFLEAGFVDSFRHVYPDLEGAYSWWSYRAGARDRNIGWRIDYFVVSESLKEQIEDASISADVMGSDHCPVELIINI