Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
GLC | | ALPHA-D-GLUCOSE | 3fr0 | A | D205 E256 | GLC | | ALPHA-D-GLUCOSE | 3id8 | A | D205 E256 | GLC | | ALPHA-D-GLUCOSE | 3imx | A | D205 E256 | GLC | | ALPHA-D-GLUCOSE | 4ise | A | D205 E256 | GLC | | ALPHA-D-GLUCOSE | 4isf | A | D205 E256 | GLC | | ALPHA-D-GLUCOSE | 4isg | A | D205 E256 | GLC | | ALPHA-D-GLUCOSE | 4mle | A | D205 E256 | GLC | | ALPHA-D-GLUCOSE | 4mlh | A | D205 E256 | GLC | | ALPHA-D-GLUCOSE | 4rch | A | D205 E256 | GLC | | ALPHA-D-GLUCOSE | 1v4s | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3a0i | X | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3f9m | A | D205 G229 E256 | BGC | | BETA-D-GLUCOSE | 3fgu | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3goi | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3h1v | X | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3idh | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3qic | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3s41 | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3vev | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3vey | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 3vf6 | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 4dch | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 4dhy | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 4iwv | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 4ixc | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 4l3q | A | D205 G229 E256 | GLC | | ALPHA-D-GLUCOSE | 4no7 | A | D205 G229 E256 | ANP | | AMP-PNP | 3fgu | A | D205 G229 S336 | ANP | | AMP-PNP | 3id8 | A | D205 G229 S336 | 1FW | | (2S)-3-CYCLOHEXYL-2-(6-FLUORO-4-OXOQUINAZOLIN-3(4H)- YL)-N-(1,3-THIAZOL-2-YL)PROPANAMIDE | 4ise | A | R63 | 3LZ | | 1-{3-[(2-ETHYLPYRIDIN-3-YL)OXY]-5-(PYRIDIN-2- YLSULFANYL)PYRIDIN-2-YL}-3-METHYLUREA | 4rch | A | R63 | LOI | | 2-(METHYLAMINO)-N-(4-METHYL-1,3-THIAZOL-2-YL)-5-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]BENZAMIDE | 3goi | A | R63 H218 | TK1 | | 1-({5-[4-(METHYLSULFONYL)PHENOXY]-2-PYRIDIN-2-YL-1H-BENZIMIDAZOL-6-YL}METHYL)PYRROLIDINE-2,5-DIONE | 3h1v | X | R63 I159 Y215 | S41 | | N,N-DIMETHYL-5-({2-METHYL-6-[(5-METHYLPYRAZIN-2-YL)CARBAMOYL]-1-BENZOFURAN-4-YL}OXY)PYRIMIDINE-2-CARBOXAMIDE | 3s41 | A | R63 I159 Y215 E221 | S41 | | N,N-DIMETHYL-5-({2-METHYL-6-[(5-METHYLPYRAZIN-2-YL)CARBAMOYL]-1-BENZOFURAN-4-YL}OXY)PYRIMIDINE-2-CARBOXAMIDE | 4dhy | A | R63 I159 Y215 E221 | 1FX | | (2S)-3-CYCLOHEXYL-2-(6-FLUORO-2,4-DIOXO-1,4- DIHYDROQUINAZOLIN-3(2H)-YL)-N-(1,3-THIAZOL-2-YL) PROPANAMIDE | 4isf | A | R63 P66 | 1FY | | (2S)-3-CYCLOHEXYL-2-[4-(METHYLSULFONYL)-2-OXOPIPERAZIN- 1-YL]-N-(1,3-THIAZOL-2-YL)PROPANAMIDE | 4isg | A | R63 P66 | VO2 | | 3-(BENZYLOXY)-5-METHYL-N-(4-METHYL-1,3-THIAZOL-2-YL) PYRIDIN-2-AMINE | 4mlh | A | R63 P66 | 0H4 | | (2S)-3-CYCLOPENTYL-N-(5-METHYLPYRIDIN-2-YL)-2-[2-OXO-4-(TRIFLUOROMETHYL)PYRIDIN-1(2H)-YL]PROPANAMIDE | 3vev | A | R63 P66 I159 Y215 | 926 | | 6-{3-[(1-METHYL-1H-IMIDAZOL-2-YL) SULFANYL]PHENYL}PYRIDIN-2(1H)-ONE | 4l3q | A | R63 P66 I159 Y215 E221 | B84 | | (2R)-3-CYCLOPENTYL-N-(5-METHOXY[1,3]THIAZOLO[5,4-B]PYRIDIN-2-YL)-2-{4-[(4-METHYLPIPERAZIN-1-YL)SULFONYL]PHENYL}PROPANAMIDE | 3imx | A | R63 P66 I159 Y215 H218 | AJB | | 2-AMINO-5-(4-METHYL-4H-[1,2,4]TRIAZOLE-3-YL-SULFANYL)-N-(4-METHYL-THIAZOLE-2-YL)BENZAMIDE | 3fr0 | A | R63 P66 Y215 | VO1 | | 3-(BENZYLOXY)-N-(4-METHYL-1,3-THIAZOL-2-YL)PYRIDIN-2- AMINE | 4mle | A | R63 P66 Y215 | AJI | | 3-[(4-FLUOROPHENYL)THIO]-N-(4-METHYL-1,3-THIAZOL-2-YL)-6-[(4-METHYL-4H-1,2,4-TRIAZOL-3-YL)THIO]PYRIDINE-2-CARBOXAMIDE | 3a0i | X | R63 P66 Y215 E221 | MRK | | 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE | 3id8 | A | R63 P66 Y215 E221 | 0H6 | | 6-({(2S)-3-CYCLOPENTYL-2-[4-(TRIFLUOROMETHYL)-1H-IMIDAZOL-1-YL]PROPANOYL}AMINO)PYRIDINE-3-CARBOXYLICACID | 3vf6 | A | R63 T65 I159 Y215 | 2N8 | | (2R)-2-[3-CHLORO-4-(METHYLSULFONYL)PHENYL]-3-[(1R)-3- OXOCYCLOPENTYL]-N-(PYRAZIN-2-YL)PROPANAMIDE | 4no7 | A | R63 T65 I159 Y215 H218 | 4DC | | (2R)-3-CYCLOPENTYL-2-[4-(METHYLSULFONYL)PHENYL]-N-(1,3-THIAZOL-2-YL)PROPANAMIDE | 4dch | A | R63 T65 P66 | 1J9 | | (2S)-2-{[1-(2-CHLOROPHENYL)-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YL]OXY}-N-(5-CHLOROPYRIDIN-2-YL)-3-(2- HYDROXYETHOXY)PROPANAMIDE | 4iwv | A | R63 T65 P66 I159 Y215 | 1JD | | (2S)-2-{[1-(3-CHLOROPYRIDIN-2-YL)-1H-PYRAZOLO[3,4- D]PYRIMIDIN-4-YL]OXY}-N-(5-METHYLPYRIDIN-2-YL)-3- (PROPAN-2-YLOXY)PROPANAMIDE | 4ixc | A | R63 T65 P66 I159 Y215 | MRK | | 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE | 3f9m | A | R63 T65 P66 Y215 | MRK | | 2-AMINO-4-FLUORO-5-[(1-METHYL-1H-IMIDAZOL-2-YL)SULFANYL]-N-(1,3-THIAZOL-2-YL)BENZAMIDE | 1v4s | A | R63 T65 Y215 | 0H5 | | 6-METHOXY-N-(1-METHYL-1H-PYRAZOL-3-YL)QUINAZOLIN-4-AMINE | 3vey | A | R63 T65 Y215 | AGS | | ADENOSINE 5'-[GAMMA-THIO]TRIPHOSPHATE | 3vey | A | T82 D205 G229 S336 |
LBS | AA sequence | # species | Species |
A456 | LVSAVACKKAC | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | C220 | YEDRQCEVGMI | 2 | Mus musculus, Rattus norvegicus | C220 | YEDHQCEVGMI | 1 | Homo sapiens | C230 | IVGTGCNACYM | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | D205 | VAMVNDTVATM | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E221 | EDRQCEVGMIV | 2 | Mus musculus, Rattus norvegicus | E221 | EDHQCEVGMIV | 1 | Homo sapiens | E256 | MCVNTEWGAFG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E290 | GQQLYEKIIGG | 2 | Mus musculus, Rattus norvegicus | E290 | GQQLYEKLIGG | 1 | Homo sapiens | E67 | VRSTPEGSEVG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E70 | TPEGSEVGDFL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E96 | VGEGEAGQWSV | 2 | Mus musculus, Rattus norvegicus | E96 | VGEGEEGQWSV | 1 | Homo sapiens | F152 | GFTFSFPVRHE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G227 | VGMIVGTGCNA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G229 | MIVGTGCNACY | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G295 | EKIIGGKYMGE | 2 | Mus musculus, Rattus norvegicus | G295 | EKLIGGKYMGE | 1 | Homo sapiens | G410 | TVGVDGSVYKL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G68 | RSTPEGSEVGD | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G81 | SLDLGGTNFRV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G97 | GEGEAGQWSVK | 2 | Mus musculus, Rattus norvegicus | G97 | GEGEEGQWSVK | 1 | Homo sapiens | H218 | CYYEDRQCEVG | 2 | Mus musculus, Rattus norvegicus | H218 | CYYEDHQCEVG | 1 | Homo sapiens | I159 | VRHEDIDKGIL | 2 | Homo sapiens, Mus musculus | I159 | VRHEDLDKGIL | 1 | Rattus norvegicus | I211 | TVATMISCYYE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | I225 | CEVGMIVGTGC | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K12 | RMEATKKEKVE | 2 | Mus musculus, Rattus norvegicus | K12 | RMEAAKKEKVE | 1 | Homo sapiens | K169 | LLNWTKGFKAS | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K296 | KIIGGKYMGEL | 2 | Mus musculus, Rattus norvegicus | K296 | KLIGGKYMGEL | 1 | Homo sapiens | K458 | SAVACKKACML | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K459 | AVACKKACMLG | 2 | Homo sapiens, Mus musculus | K459 | AVACKKACMLA | 1 | Rattus norvegicus | L415 | GSVYKLHPSFK | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L451 | GRGAALVSAVA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | M210 | DTVATMISCYY | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | M235 | CNACYMEEMQN | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | N204 | VVAMVNDTVAT | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | N231 | VGTGCNACYME | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | P153 | FTFSFPVRHED | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | P66 | YVRSTPEGSEV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Q287 | ANPGQQLYEKL | 1 | Homo sapiens | Q287 | VNPGQQLYEKI | 1 | Mus musculus | Q287 | ANPGQQLYEKI | 1 | Rattus norvegicus | Q98 | EGEAGQWSVKT | 2 | Mus musculus, Rattus norvegicus | Q98 | EGEEGQWSVKT | 1 | Homo sapiens | R333 | GAFETRFVSQV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | R63 | LPTYVRSTPEG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S151 | LGFTFSFPVRH | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S336 | ETRFVSQVESD | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S411 | VGVDGSVYKLH | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S64 | PTYVRSTPEGS | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | S69 | STPEGSEVGDF | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T168 | ILLNWTKGFKA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T206 | AMVNDTVATMI | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T228 | GMIVGTGCNAC | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T332 | RGAFETRFVSQ | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T65 | TYVRSTPEGSE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | T82 | LDLGGTNFRVM | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V412 | GVDGSVYKLHP | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V452 | RGAALVSAVAC | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V455 | ALVSAVACKKA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V62 | MLPTYVRSTPE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | W99 | GEAGQWSVKTK | 2 | Mus musculus, Rattus norvegicus | W99 | GEEGQWSVKTK | 1 | Homo sapiens | Y214 | TMISCYYEDRQ | 2 | Mus musculus, Rattus norvegicus | Y214 | TMISCYYEDHQ | 1 | Homo sapiens | Y215 | MISCYYEDRQC | 2 | Mus musculus, Rattus norvegicus | Y215 | MISCYYEDHQC | 1 | Homo sapiens | Y61 | KMLPTYVRSTP | 3 | Homo sapiens, Mus musculus, Rattus norvegicus |