Study : X_NR1B3_RARG (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: LUF_A_5(4DQM) / Model_42(4DQM/A) = [4.2] Download928.8831.79MANSSKERLCGAGAPLGHANGFPPSVYPFAFSGGIRRSPPFEVLANGGFFRSFPTDLPKEMASLSLTMGAAERSAHSDCISTVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCNDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQFCRLQKCFQVGMSKEAVRNDRNKKKKEIKEEVVLPDSYEMPPEMEELIQKVSKAHQETFPSLCQLGKYTTNSSADQRVQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFSFADQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVEKLQEPLLEALKFYARRRRPDKPYMFPRMLMKITDLRGISTKGAERAITLKLEIPGPMPPLIREMLENPEAFEDGAATPKPSERSSSESSNGSPTGEDSSGSKTP
Complex: LUF_A_5(4DQM) / Model_33(4DQM/A) = [4.2] Download960.1431.79MANSSKERLCGAGAPLGHANGFPPSVYPFAFSGGIRRSPPFEVLANGGFFRSFPTDLPKEMASLSLTMGAAERSAHSDCISTVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCNDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQFCRLQKCFQVGMSKEAVRNDRNKKKKEIKEEVVLPDSYEMPPEMEELIQKVSKAHQETFPSLCQLGKYTTNSSADQRVQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFSFADQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVEKLQEPLLEALKFYARRRRPDKPYMFPRMLMKITDLRGISTKGAERAITLKLEIPGPMPPLIREMLENPEAFEDGAATPKPSERSSSESSNGSPTGEDSSGSKTP
Complex: REA_D_6(6EU9) / Model_48(6EU9/D) = [5.5] Download1103.5449.28MANSSKERLCGAGAPLGHANGFPPSVYPFAFSGGIRRSPPFEVLANGGFFRSFPTDLPKEMASLSLTMGAAERSAHSDCISTVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCNDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQFCRLQKCFQVGMSKEAVRNDRNKKKKEIKEEVVLPDSYEMPPEMEELIQKVSKAHQETFPSLCQLGKYTTNSSADQRVQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFSFADQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVEKLQEPLLEALKFYARRRRPDKPYMFPRMLMKITDLRGISTKGAERAITLKLEIPGPMPPLIREMLENPEAFEDGAATPKPSERSSSESSNGSPTGEDSSGSKTP
Complex: LUF_C_6(4DQM) / Model_32(4DQM/C) = [6.2] Download980.6034.66MANSSKERLCGAGAPLGHANGFPPSVYPFAFSGGIRRSPPFEVLANGGFFRSFPTDLPKEMASLSLTMGAAERSAHSDCISTVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCNDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQFCRLQKCFQVGMSKEAVRNDRNKKKKEIKEEVVLPDSYEMPPEMEELIQKVSKAHQETFPSLCQLGKYTTNSSADQRVQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFSFADQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVEKLQEPLLEALKFYARRRRPDKPYMFPRMLMKITDLRGISTKGAERAITLKLEIPGPMPPLIREMLENPEAFEDGAATPKPSERSSSESSNGSPTGEDSSGSKTP
Complex: REA_B_12(5UAN) / Model_2(5UAN/B) = [7.7] Download774.9836.41MANSSKERLCGAGAPLGHANGFPPSVYPFAFSGGIRRSPPFEVLANGGFFRSFPTDLPKEMASLSLTMGAAERSAHSDCISTVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCNDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQFCRLQKCFQVGMSKEAVRNDRNKKKKEIKEEVVLPDSYEMPPEMEELIQKVSKAHQETFPSLCQLGKYTTNSSADQRVQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFSFADQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVEKLQEPLLEALKFYARRRRPDKPYMFPRMLMKITDLRGISTKGAERAITLKLEIPGPMPPLIREMLENPEAFEDGAATPKPSERSSSESSNGSPTGEDSSGSKTP
Consensus
[pKd Mean = 5.56]		-949
(s=105)		36
(s=6)		MANSSKERLCGAGAPLGHANGFPPSVYPFAFSGGIRRSPPFEVLANGGFFRSFPTDLPKEMASLSLTMGAAERSAHSDCISTVETQSTSSEEMVPSSPSPPPPPRVYKPCFVCNDKSSGYHYGVSSCEGCKGFFRRSIQKNMVYTCHRDKNCQINKVTRNRCQFCRLQKCFQVGMSKEAVRNDRNKKKKEIKEEVVLPDSYEMPPEMEELIQKVSKAHQETFPSLCQLGKYTTNSSADQRVQLDLGLWDKFSELSTKCIIKIVEFAKRLPGFTTLTIADQITLLKSACLDILMLRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFSFADQLLPLEMDDTETGLLSAICLICGDRMDLEEPEKVEKLQEPLLEALKFYARRRRPDKPYMFPRMLMKITDLRGISTKGAERAITLKLEIPGPMPPLIREMLENPEAFEDGAATPKPSERSSSESSNGSPTGEDSSGSKTP