Study : D5HFE1_9FIRM (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: EDO_A_10(5FTG) / Model_185(5FTG/A) = [3.1] Download716.6624.67MRRTTIDEAIARVDDWKGKEISYKPVSGGITNPNFKVDVEGEHFFLKIPGAGTDYINREVCHEANMIADESKAGPRVYYYFEDTGVEIFQWLDGYRQVTFGDVYDKDIFQSIFERIRDFHHLETKPLNLKQSIFEQAWDMNARAKKGGYISPFNDKMEYLLSAIEKALAGSEELCPCHNDFWTNNLMYNEETNDLKIIDYEYASMNDPYVDLGLISAVNYFTEDMDVEMMKIYGGGKVDERAFARMKLNKIACDIKWAYWALYQAASSNVEFDYMNWYGQKMARLQHFWLDSRLDYWLDVAREKSTRIS
Complex: ADP_B_9(3MES) / Model_191(3MES/B) = [5.9] Download979.9226.96MRRTTIDEAIARVDDWKGKEISYKPVSGGITNPNFKVDVEGEHFFLKIPGAGTDYINREVCHEANMIADESKAGPRVYYYFEDTGVEIFQWLDGYRQVTFGDVYDKDIFQSIFERIRDFHHLETKPLNLKQSIFEQAWDMNARAKKGGYISPFNDKMEYLLSAIEKALAGSEELCPCHNDFWTNNLMYNEETNDLKIIDYEYASMNDPYVDLGLISAVNYFTEDMDVEMMKIYGGGKVDERAFARMKLNKIACDIKWAYWALYQAASSNVEFDYMNWYGQKMARLQHFWLDSRLDYWLDVAREKSTRIS
Complex: AMP_A_3(4R78) / Model_180(4R78/A) = [6.2] Download780.6029.29MRRTTIDEAIARVDDWKGKEISYKPVSGGITNPNFKVDVEGEHFFLKIPGAGTDYINREVCHEANMIADESKAGPRVYYYFEDTGVEIFQWLDGYRQVTFGDVYDKDIFQSIFERIRDFHHLETKPLNLKQSIFEQAWDMNARAKKGGYISPFNDKMEYLLSAIEKALAGSEELCPCHNDFWTNNLMYNEETNDLKIIDYEYASMNDPYVDLGLISAVNYFTEDMDVEMMKIYGGGKVDERAFARMKLNKIACDIKWAYWALYQAASSNVEFDYMNWYGQKMARLQHFWLDSRLDYWLDVAREKSTRIS
Complex: ADP_A_7(1J7L) / Model_159(1J7L/A) = [6.3] Download908.8620.29MRRTTIDEAIARVDDWKGKEISYKPVSGGITNPNFKVDVEGEHFFLKIPGAGTDYINREVCHEANMIADESKAGPRVYYYFEDTGVEIFQWLDGYRQVTFGDVYDKDIFQSIFERIRDFHHLETKPLNLKQSIFEQAWDMNARAKKGGYISPFNDKMEYLLSAIEKALAGSEELCPCHNDFWTNNLMYNEETNDLKIIDYEYASMNDPYVDLGLISAVNYFTEDMDVEMMKIYGGGKVDERAFARMKLNKIACDIKWAYWALYQAASSNVEFDYMNWYGQKMARLQHFWLDSRLDYWLDVAREKSTRIS
Complex: PQ7_A_11(5FUT) / Model_186(5FUT/A) = [6.6] Download1613.6234.56MRRTTIDEAIARVDDWKGKEISYKPVSGGITNPNFKVDVEGEHFFLKIPGAGTDYINREVCHEANMIADESKAGPRVYYYFEDTGVEIFQWLDGYRQVTFGDVYDKDIFQSIFERIRDFHHLETKPLNLKQSIFEQAWDMNARAKKGGYISPFNDKMEYLLSAIEKALAGSEELCPCHNDFWTNNLMYNEETNDLKIIDYEYASMNDPYVDLGLISAVNYFTEDMDVEMMKIYGGGKVDERAFARMKLNKIACDIKWAYWALYQAASSNVEFDYMNWYGQKMARLQHFWLDSRLDYWLDVAREKSTRIS
Consensus
[pKd Mean = 5.62]
-999
(s=320)
27
(s=4)
MRRTTIDEAIARVDDWKGKEISYKPVSGGITNPNFKVDVEGEHFFLKIPGAGTDYINREVCHEANMIADESKAGPRVYYYFEDTGVEIFQWLDGYRQVTFGDVYDKDIFQSIFERIRDFHHLETKPLNLKQSIFEQAWDMNARAKKGGYISPFNDKMEYLLSAIEKALAGSEELCPCHNDFWTNNLMYNEETNDLKIIDYEYASMNDPYVDLGLISAVNYFTEDMDVEMMKIYGGGKVDERAFARMKLNKIACDIKWAYWALYQAASSNVEFDYMNWYGQKMARLQHFWLDSRLDYWLDVAREKSTRIS