Study : D3E974_GEOS4 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C3_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 C3_S1
Complex: GNP_A_5(5IQC) / Model_30(5IQC/A) = [3.9] Download1252.654.59MLYTLGQKIGEGGCSEVFEVGDNRIIKLAKENTSFEALRREYLNNCIAWECGLPIPQPFELTKMSGRPGIVFEHIAGKTMMERFFNQVIVSHNNEVKQADVQLTAQLLFRVHQALAEGKELPCQKSIIKSNILSVNYLSASEKESAISLLESLETKQCLCHGDPNPRNVIVKDDGEAILLDWMNATIGNPEADIAEYIVMIRYAVLPSSFPEETRDMFDSIREDLIDIFIDEYYRLSGISYDDVVPWIIPILARKLSADAISDVEKKKLVAEIRRDLGKQKNRV
Complex: ADP_A_2(4DCA) / Model_43(4DCA/A) = [4.0] Download1464.159.65MLYTLGQKIGEGGCSEVFEVGDNRIIKLAKENTSFEALRREYLNNCIAWECGLPIPQPFELTKMSGRPGIVFEHIAGKTMMERFFNQVIVSHNNEVKQADVQLTAQLLFRVHQALAEGKELPCQKSIIKSNILSVNYLSASEKESAISLLESLETKQCLCHGDPNPRNVIVKDDGEAILLDWMNATIGNPEADIAEYIVMIRYAVLPSSFPEETRDMFDSIREDLIDIFIDEYYRLSGISYDDVVPWIIPILARKLSADAISDVEKKKLVAEIRRDLGKQKNRV
Complex: GNP_C_13(5IQI) / Model_29(5IQI/C) = [4.7] Download1416.066.19MLYTLGQKIGEGGCSEVFEVGDNRIIKLAKENTSFEALRREYLNNCIAWECGLPIPQPFELTKMSGRPGIVFEHIAGKTMMERFFNQVIVSHNNEVKQADVQLTAQLLFRVHQALAEGKELPCQKSIIKSNILSVNYLSASEKESAISLLESLETKQCLCHGDPNPRNVIVKDDGEAILLDWMNATIGNPEADIAEYIVMIRYAVLPSSFPEETRDMFDSIREDLIDIFIDEYYRLSGISYDDVVPWIIPILARKLSADAISDVEKKKLVAEIRRDLGKQKNRV
Complex: ACP_A_2(1O6Y) / Model_51(1O6Y/A) = [4.8] Download1298.551.80MLYTLGQKIGEGGCSEVFEVGDNRIIKLAKENTSFEALRREYLNNCIAWECGLPIPQPFELTKMSGRPGIVFEHIAGKTMMERFFNQVIVSHNNEVKQADVQLTAQLLFRVHQALAEGKELPCQKSIIKSNILSVNYLSASEKESAISLLESLETKQCLCHGDPNPRNVIVKDDGEAILLDWMNATIGNPEADIAEYIVMIRYAVLPSSFPEETRDMFDSIREDLIDIFIDEYYRLSGISYDDVVPWIIPILARKLSADAISDVEKKKLVAEIRRDLGKQKNRV
Complex: ADP_A_6(2OLC) / Model_60(2OLC/A) = [5.3] Download1122.169.07MLYTLGQKIGEGGCSEVFEVGDNRIIKLAKENTSFEALRREYLNNCIAWECGLPIPQPFELTKMSGRPGIVFEHIAGKTMMERFFNQVIVSHNNEVKQADVQLTAQLLFRVHQALAEGKELPCQKSIIKSNILSVNYLSASEKESAISLLESLETKQCLCHGDPNPRNVIVKDDGEAILLDWMNATIGNPEADIAEYIVMIRYAVLPSSFPEETRDMFDSIREDLIDIFIDEYYRLSGISYDDVVPWIIPILARKLSADAISDVEKKKLVAEIRRDLGKQKNRV
Consensus
[pKd Mean = 4.54]
-1310
(s=121)
6
(s=2)
MLYTLGQKIGEGGCSEVFEVGDNRIIKLAKENTSFEALRREYLNNCIAWECGLPIPQPFELTKMSGRPGIVFEHIAGKTMMERFFNQVIVSHNNEVKQADVQLTAQLLFRVHQALAEGKELPCQKSIIKSNILSVNYLSASEKESAISLLESLETKQCLCHGDPNPRNVIVKDDGEAILLDWMNATIGNPEADIAEYIVMIRYAVLPSSFPEETRDMFDSIREDLIDIFIDEYYRLSGISYDDVVPWIIPILARKLSADAISDVEKKKLVAEIRRDLGKQKNRV