Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
ZN | | ZINC(2+) | 2c7a | A | C567 C584 | ZN | | ZINC(2+) | 2c7a | B | C567 C584 | 2S0 | ULIPRISTAL ACETATE | [(8S,11R,13S,14S,17R)-17-ACETYL-11-[4-(DIMETHYLAMINO) PHENYL]-13-METHYL-3-OXO-1,2,6,7,8,11,12,14,15,16- DECAHYDROCYCLOPENTA[A]PHENANTHREN-17-YL] ACETATE | 4oar | A | E723 | AS0 | | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME | 2ovm | A | E723 M756 | AS0 | | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME | 4a2j | A | E723 M756 M909 | AS0 | | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME | 4a2j | B | E723 M756 M909 | 486 | | MIFEPRISTONE | 2w8y | A | E723 M756 M909 V912 | T98 | | TANAPROGET | 1zuc | A | F905 | WOW | | 2-CHLORO-4-{(2-METHYLBENZYL)[(3S)-1-(METHYLSULFONYL)PYRROLIDIN-3-YL]AMINO}BENZONITRILE | 3kba | B | F905 | NUC | | Nucleic Acids | 2c7a | A | K588 G635 R637 | NUC | | Nucleic Acids | 2c7a | B | K588 R637 | III | | Peptide ligand (GLY,LEU,GLU,ALA,ILE,ILE,ARG,LYS,ALA,LEU,MET) | 4oar | A | K734 R740 D745 I751 | III | | Peptide ligand (GLY,LEU,GLU,ALA,ILE,ILE,ARG,LYS,ALA,LEU,MET,GLY,LYS) | 2ovh | A | K734 R740 I751 | III | | Peptide ligand (LEU,GLU,ASP,ILE,ILE,ARG,LYS,ALA,LEU,MET,GLY) | 2ovm | A | K734 R740 Q747 I751 | WOW | | 2-CHLORO-4-{(2-METHYLBENZYL)[(3S)-1-(METHYLSULFONYL)PYRROLIDIN-3-YL]AMINO}BENZONITRILE | 3kba | A | L763 F905 | R18 | | 17BETA-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE | 1e3k | B | M756 | NDR | | (14BETA,17ALPHA)-17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE | 1sqn | B | M756 | AS0 | | 4-[(11BETA,17BETA)-17-METHOXY-17-(METHOXYMETHYL)-3-OXOESTRA-4,9-DIEN-11-YL]BENZALDEHYDE OXIME | 2ovh | A | M756 | NDR | | (14BETA,17ALPHA)-17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE | 2w8y | B | M756 | NOG | | NORGESTREL | 3d90 | A | M756 | MOF | | MOMETASONE FUROATE | 1sr7 | B | M756 F905 | T98 | | TANAPROGET | 1zuc | B | M756 F905 | NOG | | NORGESTREL | 3d90 | B | M756 F905 | MOF | | MOMETASONE FUROATE | 1sr7 | A | M756 F905 M909 | OR8 | | 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE | 3zr7 | B | M756 F905 M909 | ORB | | N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE | 3zra | B | M756 F905 M909 | ORC | | (R)-N-[1-[4-(3,5-DIMETHYLISOXAZOL-4-YL) PHENYL]ETHYL]-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE | 3zrb | B | M756 F905 M909 | A2K | | (8S,11R,13S,14S,16S,17S)-17-CYCLOPROPYLCARBONYL-16-ETHENYL-13-METHYL-11-(4-PYRIDINYLPHENYL)-2,6,7,8,11,12,14,15,16,17-DECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-ONE | 4apu | B | M756 F905 M909 V912 | 30X | | N~2~-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-N,N-DIMETHYL-N~2~-(2,2,2-TRIFLUOROETHYL)-L-ALANINAMIDE | 3g8o | A | M756 L763 F905 M909 | 30X | | N~2~-[4-CYANO-3-(TRIFLUOROMETHYL)PHENYL]-N,N-DIMETHYL-N~2~-(2,2,2-TRIFLUOROETHYL)-L-ALANINAMIDE | 3g8o | B | M756 L763 F905 M909 | GKK | | 2-CHLORO-4-{[(3S)-1-METHYLPYRROLIDIN-3-YL][2-(TRIFLUOROMETHYL)BENZYL]AMINO}BENZONITRILE | 3hq5 | A | M756 L763 F905 M909 | GKK | | 2-CHLORO-4-{[(3S)-1-METHYLPYRROLIDIN-3-YL][2-(TRIFLUOROMETHYL)BENZYL]AMINO}BENZONITRILE | 3hq5 | B | M756 L763 F905 M909 | OR8 | | 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE | 3zr7 | A | M756 L763 F905 M909 | ORB | | N-{(1R)-1-[4-(2-CHLORO-5-FLUOROPYRIDIN-3-YL)PHENYL]ETHYL}-3,5-DIMETHYLISOXAZOLE-4-SULFONAMIDE | 3zra | A | M756 L763 F905 M909 | STR | | PROGESTERONE | 1a28 | A | M756 M909 | STR | | PROGESTERONE | 1a28 | B | M756 M909 | R18 | | 17BETA-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE | 1e3k | A | M756 M909 | NDR | | (14BETA,17ALPHA)-17-ETHYNYL-17-HYDROXYESTR-4-EN-3-ONE | 1sqn | A | M756 M909 | OR8 | | 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE | 3zrb | A | M756 M909 | OR8 | | 2-CHLORO-N-[[4-(3,5-DIMETHYLISOXAZOL-4-YL)PHENYL]METHYL]-1,4-DIMETHYL-1H-PYRAZOLE-4-SULFONAMIDE | 4apu | A | M756 M909 | NUC | | Nucleic Acids | 2c7a | A | R623 | NUC | | Nucleic Acids | 2c7a | B | R623 |
LBS | AA sequence | # species | Species |
C567 | LPQKICLICGD | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | C570 | KICLICGDEAS | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | C577 | DEASGCHYGVL | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | C584 | YGVLTCGSCKV | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | C587 | LTCGSCKVFFK | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | C798 | SFYSLCLTMWQ | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | C798 | SFYSLCLSMWQ | 1 | Gallus gallus | C891 | QLHLYCLNTFI | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | C891 | QLHLFCLNTFL | 1 | Gallus gallus | D745 | RNLHIDDQITL | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | E723 | LNQLGERQLLS | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | E723 | LNHLCERQLLC | 1 | Gallus gallus | F778 | GQMLYFAPDLI | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | F794 | MKESSFYSLCL | 4 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Pan troglodytes | F794 | MKELSFYSLCL | 1 | Rattus norvegicus | F905 | ALSVEFPEMMS | 4 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Pan troglodytes | F905 | ALAVEFPEMMS | 1 | Rattus norvegicus | G576 | GDEASGCHYGV | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | G585 | GVLTCGSCKVF | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | G635 | AGMVLGGRKFK | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | G636 | GMVLGGRKFKK | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | G722 | SLNQLGERQLL | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | G722 | SLNHLCERQLL | 1 | Gallus gallus | H578 | EASGCHYGVLT | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | I744 | FRNLHIDDQIT | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | I748 | HIDDQITLIQY | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | I751 | DQITLIQYSWM | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | I913 | MMSEVIAAQLP | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | K588 | TCGSCKVFFKR | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | K592 | CKVFFKRAMEG | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | K617 | DKIRRKNCPAC | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | K638 | VLGGRKFKKFN | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | K638 | VLGGRKFKKLN | 1 | Gallus gallus | K734 | VVKWSKSLPGF | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | K734 | VVKWSKLLPGF | 1 | Gallus gallus | L715 | TSSSLLTSLNQ | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | L715 | TPSSLLTSLNH | 1 | Gallus gallus | L718 | SLLTSLNQLGE | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | L718 | SLLTSLNHLCE | 1 | Gallus gallus | L721 | TSLNQLGERQL | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | L721 | TSLNHLCERQL | 1 | Gallus gallus | L726 | LGERQLLSVVK | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | L726 | LCERQLLCVVK | 1 | Gallus gallus | L763 | LMVFGLGWRSY | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | L763 | LMVFAMGWRSY | 1 | Gallus gallus | L797 | SSFYSLCLTMW | 3 | Homo sapiens, Canis lupus familiaris, Pan troglodytes | L797 | SSFYSLCLSMW | 1 | Gallus gallus | L797 | LSFYSLCLTMW | 1 | Rattus norvegicus | L887 | DLVKQLHLYCL | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | L887 | DLVKQLHLFCL | 1 | Gallus gallus | M756 | IQYSWMSLMVF | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | M759 | SWMSLMVFGLG | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | M759 | SWMSLMVFAMG | 1 | Gallus gallus | M801 | SLCLTMWQIPQ | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | M801 | SLCLSMWQLPQ | 1 | Gallus gallus | M909 | EFPEMMSEVIA | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | N719 | LLTSLNQLGER | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | N719 | LLTSLNHLCER | 1 | Gallus gallus | Q725 | QLGERQLLSVV | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | Q725 | HLCERQLLCVV | 1 | Gallus gallus | Q747 | LHIDDQITLIQ | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | Q752 | QITLIQYSWMS | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | R593 | KVFFKRAMEGQ | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | R616 | VDKIRRKNCPA | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | R623 | NCPACRLRKCC | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | R637 | MVLGGRKFKKF | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | R637 | MVLGGRKFKKL | 1 | Gallus gallus | R740 | SLPGFRNLHID | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | R740 | LLPGFRNLHID | 1 | Gallus gallus | R766 | FGLGWRSYKHV | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | R766 | FAMGWRSYKHV | 1 | Gallus gallus | S586 | VLTCGSCKVFF | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | T894 | LYCLNTFIQSR | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | T894 | LFCLNTFLQSR | 1 | Gallus gallus | V589 | CGSCKVFFKRA | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | V730 | QLLSVVKWSKS | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | V730 | QLLCVVKWSKL | 1 | Gallus gallus | V760 | WMSLMVFGLGW | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | V760 | WMSLMVFAMGW | 1 | Gallus gallus | V912 | EMMSEVIAAQL | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | W755 | LIQYSWMSLMV | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | Y579 | ASGCHYGVLTC | 5 | Homo sapiens, Gallus gallus, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | Y890 | KQLHLYCLNTF | 4 | Homo sapiens, Canis lupus familiaris, Rattus norvegicus, Pan troglodytes | Y890 | KQLHLFCLNTF | 1 | Gallus gallus |