Study : bsu04570 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: 2LG_A_2(2AM2) / Model_4(2AM2/A) = [6.0] Download1103.3413.07MIKRTVKNIAEMVKGTLANPQYEQTVIHGVATDTRKLEQHQLFIPLKGERFDGHSFVEQAFEAGVAAVLWDRSVPNPPENHAVILVDDTLTALQQLAKAYLQELGTRVIGVTGSNGKTTTKDMIHAVLGTQYRVHKTGGNFNNHIGLPLTVLAMPENTEIAVLEMGMSAKGEIDLLSRLANPDAAVITNIGESHMQDLGSREGIAEAKLEIINGLKEDGVLIYIGDEPLLQNAYSCQTKTYGTGTHNDYQLQDVSQSEEGTHFTIKGIENTFFIPILGKHNVMNAMAAIAAGAYFGIAPEDAAKGLSGLKVTGMRLELIKTDSGLSIINDAYNASPTSMKAAIQLTESLEGYGKKMLVLGDMLELGDLEETFHKECGAVISPDKIDRVFTYGKLGAFIAEGALKHFEKDRVSHYTEKKDLLQAVKENASKGDLILFKASRGMKLEEIVKDLIESPLS
Complex: 1LG_A_2(2AM1) / Model_3(2AM1/A) = [6.2] Download1008.1415.93MIKRTVKNIAEMVKGTLANPQYEQTVIHGVATDTRKLEQHQLFIPLKGERFDGHSFVEQAFEAGVAAVLWDRSVPNPPENHAVILVDDTLTALQQLAKAYLQELGTRVIGVTGSNGKTTTKDMIHAVLGTQYRVHKTGGNFNNHIGLPLTVLAMPENTEIAVLEMGMSAKGEIDLLSRLANPDAAVITNIGESHMQDLGSREGIAEAKLEIINGLKEDGVLIYIGDEPLLQNAYSCQTKTYGTGTHNDYQLQDVSQSEEGTHFTIKGIENTFFIPILGKHNVMNAMAAIAAGAYFGIAPEDAAKGLSGLKVTGMRLELIKTDSGLSIINDAYNASPTSMKAAIQLTESLEGYGKKMLVLGDMLELGDLEETFHKECGAVISPDKIDRVFTYGKLGAFIAEGALKHFEKDRVSHYTEKKDLLQAVKENASKGDLILFKASRGMKLEEIVKDLIESPLS
Complex: ANP_A_6(4CVM) / Model_10(4CVM/A) = [6.5] Download1674.367.83MIKRTVKNIAEMVKGTLANPQYEQTVIHGVATDTRKLEQHQLFIPLKGERFDGHSFVEQAFEAGVAAVLWDRSVPNPPENHAVILVDDTLTALQQLAKAYLQELGTRVIGVTGSNGKTTTKDMIHAVLGTQYRVHKTGGNFNNHIGLPLTVLAMPENTEIAVLEMGMSAKGEIDLLSRLANPDAAVITNIGESHMQDLGSREGIAEAKLEIINGLKEDGVLIYIGDEPLLQNAYSCQTKTYGTGTHNDYQLQDVSQSEEGTHFTIKGIENTFFIPILGKHNVMNAMAAIAAGAYFGIAPEDAAKGLSGLKVTGMRLELIKTDSGLSIINDAYNASPTSMKAAIQLTESLEGYGKKMLVLGDMLELGDLEETFHKECGAVISPDKIDRVFTYGKLGAFIAEGALKHFEKDRVSHYTEKKDLLQAVKENASKGDLILFKASRGMKLEEIVKDLIESPLS
Complex: IGM_A_2(3ZM5) / Model_1(3ZM5/A) = [7.2] Download1330.5611.67MIKRTVKNIAEMVKGTLANPQYEQTVIHGVATDTRKLEQHQLFIPLKGERFDGHSFVEQAFEAGVAAVLWDRSVPNPPENHAVILVDDTLTALQQLAKAYLQELGTRVIGVTGSNGKTTTKDMIHAVLGTQYRVHKTGGNFNNHIGLPLTVLAMPENTEIAVLEMGMSAKGEIDLLSRLANPDAAVITNIGESHMQDLGSREGIAEAKLEIINGLKEDGVLIYIGDEPLLQNAYSCQTKTYGTGTHNDYQLQDVSQSEEGTHFTIKGIENTFFIPILGKHNVMNAMAAIAAGAYFGIAPEDAAKGLSGLKVTGMRLELIKTDSGLSIINDAYNASPTSMKAAIQLTESLEGYGKKMLVLGDMLELGDLEETFHKECGAVISPDKIDRVFTYGKLGAFIAEGALKHFEKDRVSHYTEKKDLLQAVKENASKGDLILFKASRGMKLEEIVKDLIESPLS
Complex: 2GN_A_2(3ZM6) / Model_36(3ZM6/A) = [8.2] Download1811.3011.23MIKRTVKNIAEMVKGTLANPQYEQTVIHGVATDTRKLEQHQLFIPLKGERFDGHSFVEQAFEAGVAAVLWDRSVPNPPENHAVILVDDTLTALQQLAKAYLQELGTRVIGVTGSNGKTTTKDMIHAVLGTQYRVHKTGGNFNNHIGLPLTVLAMPENTEIAVLEMGMSAKGEIDLLSRLANPDAAVITNIGESHMQDLGSREGIAEAKLEIINGLKEDGVLIYIGDEPLLQNAYSCQTKTYGTGTHNDYQLQDVSQSEEGTHFTIKGIENTFFIPILGKHNVMNAMAAIAAGAYFGIAPEDAAKGLSGLKVTGMRLELIKTDSGLSIINDAYNASPTSMKAAIQLTESLEGYGKKMLVLGDMLELGDLEETFHKECGAVISPDKIDRVFTYGKLGAFIAEGALKHFEKDRVSHYTEKKDLLQAVKENASKGDLILFKASRGMKLEEIVKDLIESPLS
Consensus
[pKd Mean = 6.82]
-1385
(s=312)
11
(s=2)
MIKRTVKNIAEMVKGTLANPQYEQTVIHGVATDTRKLEQHQLFIPLKGERFDGHSFVEQAFEAGVAAVLWDRSVPNPPENHAVILVDDTLTALQQLAKAYLQELGTRVIGVTGSNGKTTTKDMIHAVLGTQYRVHKTGGNFNNHIGLPLTVLAMPENTEIAVLEMGMSAKGEIDLLSRLANPDAAVITNIGESHMQDLGSREGIAEAKLEIINGLKEDGVLIYIGDEPLLQNAYSCQTKTYGTGTHNDYQLQDVSQSEEGTHFTIKGIENTFFIPILGKHNVMNAMAAIAAGAYFGIAPEDAAKGLSGLKVTGMRLELIKTDSGLSIINDAYNASPTSMKAAIQLTESLEGYGKKMLVLGDMLELGDLEETFHKECGAVISPDKIDRVFTYGKLGAFIAEGALKHFEKDRVSHYTEKKDLLQAVKENASKGDLILFKASRGMKLEEIVKDLIESPLS