Study : PF00105_PRGR_RABIT (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: OR8_A_3(4APU) / Model_16(4APU/A) = [6.2] Download618.0664.43MTELKAKEPRAPHVAGGAPSPTEVGSQLLGRPDPGPFQGSQTSEASSVVSAIPISLDGLLFPRPCQGQNPPDGKTQDPPSLSDVEGAFPGVEAPEGAGDSSSRPPEKDSGLLDSVLDTLLAPSGPGQSHASPATCEAISPWCLFGPDLPEDPRAAPATKGVLAPLMSRPEDKAGDSSGTAAAHKVLPRGLSPSRQLLLPSSGSPHWPAVKPSPQPAAVQVDEEDSSESEGTVGPLLKGQPRALGGTAAGGGAAPVASGAAAGGVALVPKEDSRFSAPRVSLAEQDAPVAPGRSPLATSVVDFIHVPILPLNHAFLATRTRQLLEGESYDGGAAAASPFVPQRGSPSASSTPVAGGDFPDCTYPPDAEPKDDAFPLYGDFQPPALKIKEEEEAAEAAARSPRTYLVAGANPAAFPDFQLAAPPPPSLPPRVPSSRPGEAAVAASPGSASVSSSSSSGSTLECILYKAEGAPPQQGPFAPLPCKPPGAGACLLPRDGLPSTSASGAAAGAAPALYPTLGLNGLPQLGYQAAVLKEGLPQVYTPYLNYLRPDSEASQSPQYSFESLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDAVALPQPVGIPNESQRITFSPSQEIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Complex: ORC_B_8(3ZRB) / Model_29(3ZRB/B) = [6.2] Download635.3861.75MTELKAKEPRAPHVAGGAPSPTEVGSQLLGRPDPGPFQGSQTSEASSVVSAIPISLDGLLFPRPCQGQNPPDGKTQDPPSLSDVEGAFPGVEAPEGAGDSSSRPPEKDSGLLDSVLDTLLAPSGPGQSHASPATCEAISPWCLFGPDLPEDPRAAPATKGVLAPLMSRPEDKAGDSSGTAAAHKVLPRGLSPSRQLLLPSSGSPHWPAVKPSPQPAAVQVDEEDSSESEGTVGPLLKGQPRALGGTAAGGGAAPVASGAAAGGVALVPKEDSRFSAPRVSLAEQDAPVAPGRSPLATSVVDFIHVPILPLNHAFLATRTRQLLEGESYDGGAAAASPFVPQRGSPSASSTPVAGGDFPDCTYPPDAEPKDDAFPLYGDFQPPALKIKEEEEAAEAAARSPRTYLVAGANPAAFPDFQLAAPPPPSLPPRVPSSRPGEAAVAASPGSASVSSSSSSGSTLECILYKAEGAPPQQGPFAPLPCKPPGAGACLLPRDGLPSTSASGAAAGAAPALYPTLGLNGLPQLGYQAAVLKEGLPQVYTPYLNYLRPDSEASQSPQYSFESLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDAVALPQPVGIPNESQRITFSPSQEIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Complex: DEX_A_4(3MNP) / Model_87(3MNP/A) = [6.6] Download600.5766.61MTELKAKEPRAPHVAGGAPSPTEVGSQLLGRPDPGPFQGSQTSEASSVVSAIPISLDGLLFPRPCQGQNPPDGKTQDPPSLSDVEGAFPGVEAPEGAGDSSSRPPEKDSGLLDSVLDTLLAPSGPGQSHASPATCEAISPWCLFGPDLPEDPRAAPATKGVLAPLMSRPEDKAGDSSGTAAAHKVLPRGLSPSRQLLLPSSGSPHWPAVKPSPQPAAVQVDEEDSSESEGTVGPLLKGQPRALGGTAAGGGAAPVASGAAAGGVALVPKEDSRFSAPRVSLAEQDAPVAPGRSPLATSVVDFIHVPILPLNHAFLATRTRQLLEGESYDGGAAAASPFVPQRGSPSASSTPVAGGDFPDCTYPPDAEPKDDAFPLYGDFQPPALKIKEEEEAAEAAARSPRTYLVAGANPAAFPDFQLAAPPPPSLPPRVPSSRPGEAAVAASPGSASVSSSSSSGSTLECILYKAEGAPPQQGPFAPLPCKPPGAGACLLPRDGLPSTSASGAAAGAAPALYPTLGLNGLPQLGYQAAVLKEGLPQVYTPYLNYLRPDSEASQSPQYSFESLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDAVALPQPVGIPNESQRITFSPSQEIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Complex: 30X_A_3(3G8O) / Model_2(3G8O/A) = [6.8] Download564.8064.43MTELKAKEPRAPHVAGGAPSPTEVGSQLLGRPDPGPFQGSQTSEASSVVSAIPISLDGLLFPRPCQGQNPPDGKTQDPPSLSDVEGAFPGVEAPEGAGDSSSRPPEKDSGLLDSVLDTLLAPSGPGQSHASPATCEAISPWCLFGPDLPEDPRAAPATKGVLAPLMSRPEDKAGDSSGTAAAHKVLPRGLSPSRQLLLPSSGSPHWPAVKPSPQPAAVQVDEEDSSESEGTVGPLLKGQPRALGGTAAGGGAAPVASGAAAGGVALVPKEDSRFSAPRVSLAEQDAPVAPGRSPLATSVVDFIHVPILPLNHAFLATRTRQLLEGESYDGGAAAASPFVPQRGSPSASSTPVAGGDFPDCTYPPDAEPKDDAFPLYGDFQPPALKIKEEEEAAEAAARSPRTYLVAGANPAAFPDFQLAAPPPPSLPPRVPSSRPGEAAVAASPGSASVSSSSSSGSTLECILYKAEGAPPQQGPFAPLPCKPPGAGACLLPRDGLPSTSASGAAAGAAPALYPTLGLNGLPQLGYQAAVLKEGLPQVYTPYLNYLRPDSEASQSPQYSFESLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDAVALPQPVGIPNESQRITFSPSQEIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Complex: 30X_B_4(3G8O) / Model_22(3G8O/B) = [6.8] Download675.9264.43MTELKAKEPRAPHVAGGAPSPTEVGSQLLGRPDPGPFQGSQTSEASSVVSAIPISLDGLLFPRPCQGQNPPDGKTQDPPSLSDVEGAFPGVEAPEGAGDSSSRPPEKDSGLLDSVLDTLLAPSGPGQSHASPATCEAISPWCLFGPDLPEDPRAAPATKGVLAPLMSRPEDKAGDSSGTAAAHKVLPRGLSPSRQLLLPSSGSPHWPAVKPSPQPAAVQVDEEDSSESEGTVGPLLKGQPRALGGTAAGGGAAPVASGAAAGGVALVPKEDSRFSAPRVSLAEQDAPVAPGRSPLATSVVDFIHVPILPLNHAFLATRTRQLLEGESYDGGAAAASPFVPQRGSPSASSTPVAGGDFPDCTYPPDAEPKDDAFPLYGDFQPPALKIKEEEEAAEAAARSPRTYLVAGANPAAFPDFQLAAPPPPSLPPRVPSSRPGEAAVAASPGSASVSSSSSSGSTLECILYKAEGAPPQQGPFAPLPCKPPGAGACLLPRDGLPSTSASGAAAGAAPALYPTLGLNGLPQLGYQAAVLKEGLPQVYTPYLNYLRPDSEASQSPQYSFESLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDAVALPQPVGIPNESQRITFSPSQEIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Consensus
[pKd Mean = 6.52]		-618
(s=36)		64
(s=1)		MTELKAKEPRAPHVAGGAPSPTEVGSQLLGRPDPGPFQGSQTSEASSVVSAIPISLDGLLFPRPCQGQNPPDGKTQDPPSLSDVEGAFPGVEAPEGAGDSSSRPPEKDSGLLDSVLDTLLAPSGPGQSHASPATCEAISPWCLFGPDLPEDPRAAPATKGVLAPLMSRPEDKAGDSSGTAAAHKVLPRGLSPSRQLLLPSSGSPHWPAVKPSPQPAAVQVDEEDSSESEGTVGPLLKGQPRALGGTAAGGGAAPVASGAAAGGVALVPKEDSRFSAPRVSLAEQDAPVAPGRSPLATSVVDFIHVPILPLNHAFLATRTRQLLEGESYDGGAAAASPFVPQRGSPSASSTPVAGGDFPDCTYPPDAEPKDDAFPLYGDFQPPALKIKEEEEAAEAAARSPRTYLVAGANPAAFPDFQLAAPPPPSLPPRVPSSRPGEAAVAASPGSASVSSSSSSGSTLECILYKAEGAPPQQGPFAPLPCKPPGAGACLLPRDGLPSTSASGAAAGAAPALYPTLGLNGLPQLGYQAAVLKEGLPQVYTPYLNYLRPDSEASQSPQYSFESLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDAVALPQPVGIPNESQRITFSPSQEIQLIPPLINLLMSIEPDVIYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKESSFYSLCLTMWQIPQEFVKLQVSQEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVSSSQRFYQLTKLLDNLHDLVKQLHLYCLNTFIQSRALSVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK