Study : PF00067_CP51A_RAT (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: TPF_A_3(3KHM) / Model_12(3KHM/A) = [4.1] Download1258.0335.28MVLLGLLQSGGSVLGQAMEQVTGGNLLSTLLIACAFTLSLVYLFRLAVGHMVQLPAGAKSPPYIYSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEEVYGRLTTPVFGKGVAYDVPNAVFLEQKKILKSGLNIAHFKQYVSIIEKEAKEYFKSWGESGERNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKNIFYKAIQKRRLSKEPAEDILQTLLDSTYKDGRPLTDDEIAGMLIGLLLAGQHTSSTTSAWMGFFLARDKPLQDKCYLEQKTVCGEDLPPLTYEQLKDLNLLDRCIKETLRLRPPIMTMMRMAKTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLINGYFPSVNYTTMIHTPENPVIRYKRRSK
Complex: TPF_A_4(2WUZ) / Model_14(2WUZ/A) = [4.4] Download1192.4041.50MVLLGLLQSGGSVLGQAMEQVTGGNLLSTLLIACAFTLSLVYLFRLAVGHMVQLPAGAKSPPYIYSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEEVYGRLTTPVFGKGVAYDVPNAVFLEQKKILKSGLNIAHFKQYVSIIEKEAKEYFKSWGESGERNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKNIFYKAIQKRRLSKEPAEDILQTLLDSTYKDGRPLTDDEIAGMLIGLLLAGQHTSSTTSAWMGFFLARDKPLQDKCYLEQKTVCGEDLPPLTYEQLKDLNLLDRCIKETLRLRPPIMTMMRMAKTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLINGYFPSVNYTTMIHTPENPVIRYKRRSK
Complex: TPF_A_4(2WX2) / Model_15(2WX2/A) = [4.6] Download1371.7441.66MVLLGLLQSGGSVLGQAMEQVTGGNLLSTLLIACAFTLSLVYLFRLAVGHMVQLPAGAKSPPYIYSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEEVYGRLTTPVFGKGVAYDVPNAVFLEQKKILKSGLNIAHFKQYVSIIEKEAKEYFKSWGESGERNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKNIFYKAIQKRRLSKEPAEDILQTLLDSTYKDGRPLTDDEIAGMLIGLLLAGQHTSSTTSAWMGFFLARDKPLQDKCYLEQKTVCGEDLPPLTYEQLKDLNLLDRCIKETLRLRPPIMTMMRMAKTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLINGYFPSVNYTTMIHTPENPVIRYKRRSK
Complex: VNF_A_3(3KSW) / Model_11(3KSW/A) = [4.9] Download1544.5344.21MVLLGLLQSGGSVLGQAMEQVTGGNLLSTLLIACAFTLSLVYLFRLAVGHMVQLPAGAKSPPYIYSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEEVYGRLTTPVFGKGVAYDVPNAVFLEQKKILKSGLNIAHFKQYVSIIEKEAKEYFKSWGESGERNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKNIFYKAIQKRRLSKEPAEDILQTLLDSTYKDGRPLTDDEIAGMLIGLLLAGQHTSSTTSAWMGFFLARDKPLQDKCYLEQKTVCGEDLPPLTYEQLKDLNLLDRCIKETLRLRPPIMTMMRMAKTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLINGYFPSVNYTTMIHTPENPVIRYKRRSK
Complex: NEE_A_3(4H6O) / Model_7(4H6O/A) = [5.0] Download1161.6443.17MVLLGLLQSGGSVLGQAMEQVTGGNLLSTLLIACAFTLSLVYLFRLAVGHMVQLPAGAKSPPYIYSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEEVYGRLTTPVFGKGVAYDVPNAVFLEQKKILKSGLNIAHFKQYVSIIEKEAKEYFKSWGESGERNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKNIFYKAIQKRRLSKEPAEDILQTLLDSTYKDGRPLTDDEIAGMLIGLLLAGQHTSSTTSAWMGFFLARDKPLQDKCYLEQKTVCGEDLPPLTYEQLKDLNLLDRCIKETLRLRPPIMTMMRMAKTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLINGYFPSVNYTTMIHTPENPVIRYKRRSK
Consensus
[pKd Mean = 4.60]
-1305
(s=139)
41
(s=3)
MVLLGLLQSGGSVLGQAMEQVTGGNLLSTLLIACAFTLSLVYLFRLAVGHMVQLPAGAKSPPYIYSPIPFLGHAIAFGKSPIEFLENAYEKYGPVFSFTMVGKTFTYLLGSDAAALLFNSKNEDLNAEEVYGRLTTPVFGKGVAYDVPNAVFLEQKKILKSGLNIAHFKQYVSIIEKEAKEYFKSWGESGERNVFEALSELIILTASHCLHGKEIRSQLNEKVAQLYADLDGGFSHAAWLLPGWLPLPSFRRRDRAHREIKNIFYKAIQKRRLSKEPAEDILQTLLDSTYKDGRPLTDDEIAGMLIGLLLAGQHTSSTTSAWMGFFLARDKPLQDKCYLEQKTVCGEDLPPLTYEQLKDLNLLDRCIKETLRLRPPIMTMMRMAKTPQTVAGYTIPPGHQVCVSPTVNQRLKDSWVERLDFNPDRYLQDNPASGEKFAYVPFGAGRHRCIGENFAYVQIKTIWSTMLRLYEFDLINGYFPSVNYTTMIHTPENPVIRYKRRSK