Study : PF00105_PRGR_RAT (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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: ORC_B_8(3ZRB) / Model_29(3ZRB/B) = [6.2] Download564.4964.87MTELQAKDPRTLHTSGAAPSPTHVGSPLLARLDPDPFQGSQHSDASSVVSPIPISLDRLLFSRSCQAQELPDEKTQNQQSLSDVEGAFSGVEASRRRSRNPRAPEKDSRLLDSVLDTLLAPSGPEQSQTSPPACEAITSWCLFGPELPEDPRSVPATKGLLSPLMSRPESKAGDSSGTGAGQKVLPKAVSPPRQLLLPTSGSAHWPGAGVKPSQQPATVEVEEDGGLETEGSAGPLLKSKPRALEGMCSGGGVTANAPGAAPGGVTLVPKEDSRFSAPRVSLEQDAPVAPGRSPLATTVVDFIHVPILPLNHALLAARTRQLLEGDSYDGGAAAQVPFAPPRGSPSAPSPPVPCGDFPDCTYPPEGDPKEDGFPVYGEFQPPGLKIKEEEEGTEAASRSPRPYLLAGASAATFPDFPLPPRPPRAPPSRPGEAAVAAPSAAVSPVSSSGSALECILYKAEGAPPTQGSFAPLPCKPPAASSCLLPRDSLPAAPTSSAAPAIYPPLGLNGLPQLGYQAAVLKDSLPQVYPPYLNYLRPDSEASQSPQYGFDSLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDGVALPQSVAFPNESQTLGQRITFSPNQEIQLVPPLINLLMSIEPDVVYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKELSFYSLCLTMWQIPQEFVKLQVTHEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVPSSQRFYQLTKLLDSLHDLVKQLHLYCLNTFIQSRALAVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Complex: OR8_A_3(4APU) / Model_12(4APU/A) = [6.2] Download606.4964.43MTELQAKDPRTLHTSGAAPSPTHVGSPLLARLDPDPFQGSQHSDASSVVSPIPISLDRLLFSRSCQAQELPDEKTQNQQSLSDVEGAFSGVEASRRRSRNPRAPEKDSRLLDSVLDTLLAPSGPEQSQTSPPACEAITSWCLFGPELPEDPRSVPATKGLLSPLMSRPESKAGDSSGTGAGQKVLPKAVSPPRQLLLPTSGSAHWPGAGVKPSQQPATVEVEEDGGLETEGSAGPLLKSKPRALEGMCSGGGVTANAPGAAPGGVTLVPKEDSRFSAPRVSLEQDAPVAPGRSPLATTVVDFIHVPILPLNHALLAARTRQLLEGDSYDGGAAAQVPFAPPRGSPSAPSPPVPCGDFPDCTYPPEGDPKEDGFPVYGEFQPPGLKIKEEEEGTEAASRSPRPYLLAGASAATFPDFPLPPRPPRAPPSRPGEAAVAAPSAAVSPVSSSGSALECILYKAEGAPPTQGSFAPLPCKPPAASSCLLPRDSLPAAPTSSAAPAIYPPLGLNGLPQLGYQAAVLKDSLPQVYPPYLNYLRPDSEASQSPQYGFDSLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDGVALPQSVAFPNESQTLGQRITFSPNQEIQLVPPLINLLMSIEPDVVYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKELSFYSLCLTMWQIPQEFVKLQVTHEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVPSSQRFYQLTKLLDSLHDLVKQLHLYCLNTFIQSRALAVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Complex: DEX_A_4(3MNP) / Model_85(3MNP/A) = [6.6] Download538.0066.61MTELQAKDPRTLHTSGAAPSPTHVGSPLLARLDPDPFQGSQHSDASSVVSPIPISLDRLLFSRSCQAQELPDEKTQNQQSLSDVEGAFSGVEASRRRSRNPRAPEKDSRLLDSVLDTLLAPSGPEQSQTSPPACEAITSWCLFGPELPEDPRSVPATKGLLSPLMSRPESKAGDSSGTGAGQKVLPKAVSPPRQLLLPTSGSAHWPGAGVKPSQQPATVEVEEDGGLETEGSAGPLLKSKPRALEGMCSGGGVTANAPGAAPGGVTLVPKEDSRFSAPRVSLEQDAPVAPGRSPLATTVVDFIHVPILPLNHALLAARTRQLLEGDSYDGGAAAQVPFAPPRGSPSAPSPPVPCGDFPDCTYPPEGDPKEDGFPVYGEFQPPGLKIKEEEEGTEAASRSPRPYLLAGASAATFPDFPLPPRPPRAPPSRPGEAAVAAPSAAVSPVSSSGSALECILYKAEGAPPTQGSFAPLPCKPPAASSCLLPRDSLPAAPTSSAAPAIYPPLGLNGLPQLGYQAAVLKDSLPQVYPPYLNYLRPDSEASQSPQYGFDSLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDGVALPQSVAFPNESQTLGQRITFSPNQEIQLVPPLINLLMSIEPDVVYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKELSFYSLCLTMWQIPQEFVKLQVTHEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVPSSQRFYQLTKLLDSLHDLVKQLHLYCLNTFIQSRALAVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Complex: 30X_A_3(3G8O) / Model_2(3G8O/A) = [6.8] Download675.0264.43MTELQAKDPRTLHTSGAAPSPTHVGSPLLARLDPDPFQGSQHSDASSVVSPIPISLDRLLFSRSCQAQELPDEKTQNQQSLSDVEGAFSGVEASRRRSRNPRAPEKDSRLLDSVLDTLLAPSGPEQSQTSPPACEAITSWCLFGPELPEDPRSVPATKGLLSPLMSRPESKAGDSSGTGAGQKVLPKAVSPPRQLLLPTSGSAHWPGAGVKPSQQPATVEVEEDGGLETEGSAGPLLKSKPRALEGMCSGGGVTANAPGAAPGGVTLVPKEDSRFSAPRVSLEQDAPVAPGRSPLATTVVDFIHVPILPLNHALLAARTRQLLEGDSYDGGAAAQVPFAPPRGSPSAPSPPVPCGDFPDCTYPPEGDPKEDGFPVYGEFQPPGLKIKEEEEGTEAASRSPRPYLLAGASAATFPDFPLPPRPPRAPPSRPGEAAVAAPSAAVSPVSSSGSALECILYKAEGAPPTQGSFAPLPCKPPAASSCLLPRDSLPAAPTSSAAPAIYPPLGLNGLPQLGYQAAVLKDSLPQVYPPYLNYLRPDSEASQSPQYGFDSLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDGVALPQSVAFPNESQTLGQRITFSPNQEIQLVPPLINLLMSIEPDVVYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKELSFYSLCLTMWQIPQEFVKLQVTHEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVPSSQRFYQLTKLLDSLHDLVKQLHLYCLNTFIQSRALAVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Complex: 30X_B_4(3G8O) / Model_22(3G8O/B) = [6.8] Download649.6864.43MTELQAKDPRTLHTSGAAPSPTHVGSPLLARLDPDPFQGSQHSDASSVVSPIPISLDRLLFSRSCQAQELPDEKTQNQQSLSDVEGAFSGVEASRRRSRNPRAPEKDSRLLDSVLDTLLAPSGPEQSQTSPPACEAITSWCLFGPELPEDPRSVPATKGLLSPLMSRPESKAGDSSGTGAGQKVLPKAVSPPRQLLLPTSGSAHWPGAGVKPSQQPATVEVEEDGGLETEGSAGPLLKSKPRALEGMCSGGGVTANAPGAAPGGVTLVPKEDSRFSAPRVSLEQDAPVAPGRSPLATTVVDFIHVPILPLNHALLAARTRQLLEGDSYDGGAAAQVPFAPPRGSPSAPSPPVPCGDFPDCTYPPEGDPKEDGFPVYGEFQPPGLKIKEEEEGTEAASRSPRPYLLAGASAATFPDFPLPPRPPRAPPSRPGEAAVAAPSAAVSPVSSSGSALECILYKAEGAPPTQGSFAPLPCKPPAASSCLLPRDSLPAAPTSSAAPAIYPPLGLNGLPQLGYQAAVLKDSLPQVYPPYLNYLRPDSEASQSPQYGFDSLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDGVALPQSVAFPNESQTLGQRITFSPNQEIQLVPPLINLLMSIEPDVVYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKELSFYSLCLTMWQIPQEFVKLQVTHEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVPSSQRFYQLTKLLDSLHDLVKQLHLYCLNTFIQSRALAVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK
Consensus
[pKd Mean = 6.52]
-606
(s=51)
64
(s=1)
MTELQAKDPRTLHTSGAAPSPTHVGSPLLARLDPDPFQGSQHSDASSVVSPIPISLDRLLFSRSCQAQELPDEKTQNQQSLSDVEGAFSGVEASRRRSRNPRAPEKDSRLLDSVLDTLLAPSGPEQSQTSPPACEAITSWCLFGPELPEDPRSVPATKGLLSPLMSRPESKAGDSSGTGAGQKVLPKAVSPPRQLLLPTSGSAHWPGAGVKPSQQPATVEVEEDGGLETEGSAGPLLKSKPRALEGMCSGGGVTANAPGAAPGGVTLVPKEDSRFSAPRVSLEQDAPVAPGRSPLATTVVDFIHVPILPLNHALLAARTRQLLEGDSYDGGAAAQVPFAPPRGSPSAPSPPVPCGDFPDCTYPPEGDPKEDGFPVYGEFQPPGLKIKEEEEGTEAASRSPRPYLLAGASAATFPDFPLPPRPPRAPPSRPGEAAVAAPSAAVSPVSSSGSALECILYKAEGAPPTQGSFAPLPCKPPAASSCLLPRDSLPAAPTSSAAPAIYPPLGLNGLPQLGYQAAVLKDSLPQVYPPYLNYLRPDSEASQSPQYGFDSLPQKICLICGDEASGCHYGVLTCGSCKVFFKRAMEGQHNYLCAGRNDCIVDKIRRKNCPACRLRKCCQAGMVLGGRKFKKFNKVRVMRALDGVALPQSVAFPNESQTLGQRITFSPNQEIQLVPPLINLLMSIEPDVVYAGHDNTKPDTSSSLLTSLNQLGERQLLSVVKWSKSLPGFRNLHIDDQITLIQYSWMSLMVFGLGWRSYKHVSGQMLYFAPDLILNEQRMKELSFYSLCLTMWQIPQEFVKLQVTHEEFLCMKVLLLLNTIPLEGLRSQSQFEEMRSSYIRELIKAIGLRQKGVVPSSQRFYQLTKLLDSLHDLVKQLHLYCLNTFIQSRALAVEFPEMMSEVIAAQLPKILAGMVKPLLFHKK