Study : bsu14270 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: ATP_D_10(1ZFN) / Model_24(1ZFN/D) = [6.0] Download1160.5915.55MEERYSRQIRFKQIGEEGQKRLADSHVLIVGAGALGTAGAEGLSRAGVGTITIIDRDYVEWSNLQRQQLYTESDAKLRMPKAMAAKEHLSAINSEIHIEAYVTEGTAETLEPLIEKADVVIDATDNFETRMLINDLAQKTKTPWVYGACVSSQGMFMTVIPGETPCLSCLFEQIPVGGATCDTAGIIPPAVHIVSAYQQAEALKLLTGQKEAIQRGFVTFDVWNNSHMKINVNHVRREECPSCGANAVYPYLQDWNTPKAAVLCGRDTVQVRSESLKRIPKQELIKRLKTIGKVEANAFLLHIFYEDFRIVIFNDGRALVHGTNDVKEANSVLARVIGL
Complex: ATP_A_11(1ZFN) / Model_4(1ZFN/A) = [6.0] Download1318.637.71MEERYSRQIRFKQIGEEGQKRLADSHVLIVGAGALGTAGAEGLSRAGVGTITIIDRDYVEWSNLQRQQLYTESDAKLRMPKAMAAKEHLSAINSEIHIEAYVTEGTAETLEPLIEKADVVIDATDNFETRMLINDLAQKTKTPWVYGACVSSQGMFMTVIPGETPCLSCLFEQIPVGGATCDTAGIIPPAVHIVSAYQQAEALKLLTGQKEAIQRGFVTFDVWNNSHMKINVNHVRREECPSCGANAVYPYLQDWNTPKAAVLCGRDTVQVRSESLKRIPKQELIKRLKTIGKVEANAFLLHIFYEDFRIVIFNDGRALVHGTNDVKEANSVLARVIGL
Complex: ATP_B_12(1ZFN) / Model_26(1ZFN/B) = [6.1] Download1232.6512.85MEERYSRQIRFKQIGEEGQKRLADSHVLIVGAGALGTAGAEGLSRAGVGTITIIDRDYVEWSNLQRQQLYTESDAKLRMPKAMAAKEHLSAINSEIHIEAYVTEGTAETLEPLIEKADVVIDATDNFETRMLINDLAQKTKTPWVYGACVSSQGMFMTVIPGETPCLSCLFEQIPVGGATCDTAGIIPPAVHIVSAYQQAEALKLLTGQKEAIQRGFVTFDVWNNSHMKINVNHVRREECPSCGANAVYPYLQDWNTPKAAVLCGRDTVQVRSESLKRIPKQELIKRLKTIGKVEANAFLLHIFYEDFRIVIFNDGRALVHGTNDVKEANSVLARVIGL
Complex: ATP_C_9(1ZFN) / Model_25(1ZFN/C) = [6.4] Download1198.947.83MEERYSRQIRFKQIGEEGQKRLADSHVLIVGAGALGTAGAEGLSRAGVGTITIIDRDYVEWSNLQRQQLYTESDAKLRMPKAMAAKEHLSAINSEIHIEAYVTEGTAETLEPLIEKADVVIDATDNFETRMLINDLAQKTKTPWVYGACVSSQGMFMTVIPGETPCLSCLFEQIPVGGATCDTAGIIPPAVHIVSAYQQAEALKLLTGQKEAIQRGFVTFDVWNNSHMKINVNHVRREECPSCGANAVYPYLQDWNTPKAAVLCGRDTVQVRSESLKRIPKQELIKRLKTIGKVEANAFLLHIFYEDFRIVIFNDGRALVHGTNDVKEANSVLARVIGL
Consensus
[pKd Mean = 6.12]
-1227
(s=58)
10
(s=3)
MEERYSRQIRFKQIGEEGQKRLADSHVLIVGAGALGTAGAEGLSRAGVGTITIIDRDYVEWSNLQRQQLYTESDAKLRMPKAMAAKEHLSAINSEIHIEAYVTEGTAETLEPLIEKADVVIDATDNFETRMLINDLAQKTKTPWVYGACVSSQGMFMTVIPGETPCLSCLFEQIPVGGATCDTAGIIPPAVHIVSAYQQAEALKLLTGQKEAIQRGFVTFDVWNNSHMKINVNHVRREECPSCGANAVYPYLQDWNTPKAAVLCGRDTVQVRSESLKRIPKQELIKRLKTIGKVEANAFLLHIFYEDFRIVIFNDGRALVHGTNDVKEANSVLARVIGL