Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
LVJ | | 2-[[2,6-BIS(CHLORANYL)-3-[(2,2- DIMETHYLPROPANOYLAMINO)METHYL]PHENYL]AMINO]-1-METHYL-6 METHYL-2-OXIDANYL-PROPOXY)-N-[2,2,2- TRIS(FLUORANYL)ETHYL]BENZIMIDAZOLE-5- CARBOXAMIDE | 4bpm | A | A123 P124 | 4DZ | | 2-(9-CHLORO-1H-PHENANTHRO[9,10-D]IMIDAZOL-2-YL)BENZENE- 1,3-DICARBONITRILE | 4yl0 | A | A123 P124 | 4U8 | | 5-(4-TERT-BUTYLPHENYL)-1-[4-(PROPAN-2-YLOXY)PHENYL]-1H- INDOLE-2-CARBOXYLIC ACID | 4yl1 | A | P124 | 4U9 | | 5-[4-BROMO-2-(2-CHLORO-6-FLUOROPHENYL)-1H-IMIDAZOL-5- YL]-2-{[4-(TRIFLUOROMETHYL)PHENYL]ETHYNYL}PYRIDINE | 4yl3 | A | P124 | 4DV | | 3-[1-(4-CHLOROBENZYL)-5-(2-FLUORO-2'-METHYLBIPHENYL-4- YL)-3-METHYL-1H-INDOL-2-YL]-2,2-DIMETHYLPROPANOIC ACID | 4yk5 | A | P124 | GSH | | GLUTATHIONATE(1-) | 3dww | A | R126 | GSH | | GLUTATHIONATE(1-) | 3dww | B | R126 | GSH | | GLUTATHIONATE(1-) | 3dww | C | R126 | GSH | | GLUTATHIONATE(1-) | 4al0 | A | R126 | 48T | | L-GAMMA-GLUTAMYL-S-(2-BIPHENYL-4-YL-2- OXOETHYL)-L-CYSTEINYLGLYCINE | 4al1 | A | R126 | GSH | | GLUTATHIONATE(1-) | 4bpm | A | R126 | GSH | | GLUTATHIONATE(1-) | 4yl0 | A | R126 | GSH | | GLUTATHIONATE(1-) | 4yl1 | A | R126 | GSH | | GLUTATHIONATE(1-) | 4yl3 | A | R126 | GSH | | GLUTATHIONATE(1-) | 4yk5 | A | R126 |
LBS | AA sequence | # species | Species |
A123 | LGKLRAPTRSL | 2 | Canis lupus familiaris, Bos taurus | A123 | LGKLRAPIRSV | 1 | Homo sapiens | A123 | LGKLNPRLRSG | 1 | Mus musculus | A138 | AQLPCASMALQ | 3 | Homo sapiens, Canis lupus familiaris, Bos taurus | A138 | AQFSCFSMALQ | 1 | Mus musculus | A31 | KMYVVAVITGQ | 2 | Canis lupus familiaris, Bos taurus | A31 | KMYVVAIITGQ | 1 | Homo sapiens | A31 | KMYAVAVITGQ | 1 | Mus musculus | C68 | PDVERCLRAHR | 3 | Homo sapiens, Mus musculus, Bos taurus | C68 | QDVDRCLRAHR | 1 | Canis lupus familiaris | E77 | HRNDMETIYPF | 4 | Homo sapiens, Mus musculus, Canis lupus familiaris, Bos taurus | G35 | VAVITGQVRLR | 2 | Canis lupus familiaris, Bos taurus | G35 | VAIITGQVRLR | 1 | Homo sapiens | G35 | VAVITGQMRLR | 1 | Mus musculus | H113 | LGRMVHTVAYL | 2 | Canis lupus familiaris, Bos taurus | H113 | VGRVAHTVAYL | 1 | Homo sapiens | H113 | TGRVVHTVAYL | 1 | Mus musculus | H72 | RCLRAHRNDME | 4 | Homo sapiens, Mus musculus, Canis lupus familiaris, Bos taurus | L132 | SVTYTLAQLPC | 1 | Homo sapiens | L132 | SGAYVLAQFSC | 1 | Mus musculus | L132 | SLAYTVAQLPC | 1 | Canis lupus familiaris | L132 | SLAYTLAQLPC | 1 | Bos taurus | L135 | YTLAQLPCASM | 2 | Homo sapiens, Bos taurus | L135 | YVLAQFSCFSM | 1 | Mus musculus | L135 | YTVAQLPCASM | 1 | Canis lupus familiaris | N74 | LRAHRNDMETI | 4 | Homo sapiens, Mus musculus, Canis lupus familiaris, Bos taurus | P124 | GKLRAPTRSLA | 2 | Canis lupus familiaris, Bos taurus | P124 | GKLRAPIRSVT | 1 | Homo sapiens | P124 | GKLNPRLRSGA | 1 | Mus musculus | Q134 | TYTLAQLPCAS | 1 | Homo sapiens | Q134 | AYVLAQFSCFS | 1 | Mus musculus | Q134 | AYTVAQLPCAS | 1 | Canis lupus familiaris | Q134 | AYTLAQLPCAS | 1 | Bos taurus | Q143 | ASMALQIVWEA | 2 | Canis lupus familiaris, Bos taurus | Q143 | ASMALQILWEA | 1 | Homo sapiens | Q143 | FSMALQILWEV | 1 | Mus musculus | R110 | VFFLGRMVHTV | 2 | Canis lupus familiaris, Bos taurus | R110 | VFLVGRVAHTV | 1 | Homo sapiens | R110 | VVLTGRVVHTV | 1 | Mus musculus | R126 | LRAPTRSLAYT | 2 | Canis lupus familiaris, Bos taurus | R126 | LRAPIRSVTYT | 1 | Homo sapiens | R126 | LNPRLRSGAYV | 1 | Mus musculus | R38 | ITGQVRLRKKA | 3 | Homo sapiens, Canis lupus familiaris, Bos taurus | R38 | ITGQMRLRKKA | 1 | Mus musculus | R70 | VERCLRAHRND | 3 | Homo sapiens, Mus musculus, Bos taurus | R70 | VDRCLRAHRND | 1 | Canis lupus familiaris | R73 | CLRAHRNDMET | 4 | Homo sapiens, Mus musculus, Canis lupus familiaris, Bos taurus | S127 | RAPIRSVTYTL | 1 | Homo sapiens | S127 | NPRLRSGAYVL | 1 | Mus musculus | S127 | RAPTRSLAYTV | 1 | Canis lupus familiaris | S127 | RAPTRSLAYTL | 1 | Bos taurus | S139 | QLPCASMALQI | 3 | Homo sapiens, Canis lupus familiaris, Bos taurus | S139 | QFSCFSMALQI | 1 | Mus musculus | T131 | RSVTYTLAQLP | 1 | Homo sapiens | T131 | RSGAYVLAQFS | 1 | Mus musculus | T131 | RSLAYTVAQLP | 1 | Canis lupus familiaris | T131 | RSLAYTLAQLP | 1 | Bos taurus | T34 | VVAVITGQVRL | 2 | Canis lupus familiaris, Bos taurus | T34 | VVAIITGQVRL | 1 | Homo sapiens | T34 | AVAVITGQMRL | 1 | Mus musculus | V128 | APIRSVTYTLA | 1 | Homo sapiens | V128 | PRLRSGAYVLA | 1 | Mus musculus | V128 | APTRSLAYTVA | 1 | Canis lupus familiaris | V128 | APTRSLAYTLA | 1 | Bos taurus | W146 | ALQILWEAARH | 1 | Homo sapiens | W146 | ALQILWEVAHH | 1 | Mus musculus | W146 | ALQIVWEAACH | 1 | Canis lupus familiaris | W146 | ALQIVWEAARH | 1 | Bos taurus | Y117 | VHTVAYLGKLR | 2 | Canis lupus familiaris, Bos taurus | Y117 | AHTVAYLGKLR | 1 | Homo sapiens | Y117 | VHTVAYLGKLN | 1 | Mus musculus | Y130 | IRSVTYTLAQL | 1 | Homo sapiens | Y130 | LRSGAYVLAQF | 1 | Mus musculus | Y130 | TRSLAYTVAQL | 1 | Canis lupus familiaris | Y130 | TRSLAYTLAQL | 1 | Bos taurus | Y28 | LVIKMYVVAVI | 2 | Canis lupus familiaris, Bos taurus | Y28 | LVIKMYVVAII | 1 | Homo sapiens | Y28 | LVIKMYAVAVI | 1 | Mus musculus |