Ligand ID | Ligand short name | Ligand long name | PDB ID | PDB name | mutLBS |
M77 | | FASUDIL | 2esm | A | D216 | M77 | | FASUDIL | 2esm | B | D216 | Y27 | | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL)CYCLOHEXANECARBOXAMIDE | 2etr | A | D216 | Y27 | | (R)-TRANS-4-(1-AMINOETHYL)-N-(4-PYRIDYL)CYCLOHEXANECARBOXAMIDE | 2etr | B | D216 | 07Q | | 1-[(1R)-1-(3-METHOXYPHENYL)ETHYL]-3-(4-PYRIDIN-4-YL-1,3-THIAZOL-2-YL)UREA | 3tv7 | A | D216 | 07R | | 1-[(3-HYDROXYPHENYL)METHYL]-3-(4-PYRIDIN-4-YL-1,3- THIAZOL-2-YL)UREA | 3twj | C | D216 | 0HD | | 1-(1H-INDAZOL-5-YL)-3-(2-PHENYLETHYL)UREA | 3v8s | B | D216 | 0HD | | 1-(1H-INDAZOL-5-YL)-3-(2-PHENYLETHYL)UREA | 3v8s | D | D216 | 4KH | | 2-FLUORO-N-[4-(PYRIDIN-4-YL)-1,3-THIAZOL-2-YL]BENZAMIDE | 4yvc | A | D216 | 4KH | | 2-FLUORO-N-[4-(PYRIDIN-4-YL)-1,3-THIAZOL-2-YL]BENZAMIDE | 4yvc | B | D216 | 4TW | | N-[4-(2-FLUOROPYRIDIN-4-YL)THIOPHEN-2-YL]-2-{3- [(METHYLSULFONYL)AMINO]PHENYL}ACETAMIDE | 5bml | B | F120 V137 D216 | 07Q | | 1-[(1R)-1-(3-METHOXYPHENYL)ETHYL]-3-(4-PYRIDIN-4-YL-1,3-THIAZOL-2-YL)UREA | 3tv7 | B | L107 D216 | 07Q | | 1-[(1R)-1-(3-METHOXYPHENYL)ETHYL]-3-(4-PYRIDIN-4-YL-1,3-THIAZOL-2-YL)UREA | 3tv7 | C | L107 D216 | 07Q | | 1-[(1R)-1-(3-METHOXYPHENYL)ETHYL]-3-(4-PYRIDIN-4-YL-1,3-THIAZOL-2-YL)UREA | 3tv7 | D | L107 D216 | 0HD | | 1-(1H-INDAZOL-5-YL)-3-(2-PHENYLETHYL)UREA | 3v8s | A | L107 D216 | 0HD | | 1-(1H-INDAZOL-5-YL)-3-(2-PHENYLETHYL)UREA | 3v8s | C | L107 D216 | 4KK | | 2-(3-METHOXYPHENYL)-N-[4-(PYRIDIN-4-YL)-1,3-THIAZOL-2- YL]ACETAMIDE | 4yve | A | L107 D216 | 4KK | | 2-(3-METHOXYPHENYL)-N-[4-(PYRIDIN-4-YL)-1,3-THIAZOL-2- YL]ACETAMIDE | 4yve | B | L107 D216 | 4TW | | N-[4-(2-FLUOROPYRIDIN-4-YL)THIOPHEN-2-YL]-2-{3- [(METHYLSULFONYL)AMINO]PHENYL}ACETAMIDE | 5bml | A | L107 F120 D216 | 07R | | 1-[(3-HYDROXYPHENYL)METHYL]-3-(4-PYRIDIN-4-YL-1,3- THIAZOL-2-YL)UREA | 3twj | A | M128 V137 D216 | HFS | | HYDROXYFASUDIL | 2etk | A | V137 D216 | HFS | | HYDROXYFASUDIL | 2etk | B | V137 D216 | ANP | | AMP-PNP | 2v55 | A | V137 D216 | ANP | | AMP-PNP | 2v55 | C | V137 D216 | 3NC | | CIS-4-AMINO-N-(7-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-6-YL)CYCLOHEXANECARBOXAMIDE | 3ncz | A | V137 D216 | 3NC | | CIS-4-AMINO-N-(7-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-6-YL)CYCLOHEXANECARBOXAMIDE | 3ncz | B | V137 D216 | 3NC | | CIS-4-AMINO-N-(7-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-6-YL)CYCLOHEXANECARBOXAMIDE | 3ncz | C | V137 D216 | 3NC | | CIS-4-AMINO-N-(7-CHLORO-1-OXO-1,2-DIHYDROISOQUINOLIN-6-YL)CYCLOHEXANECARBOXAMIDE | 3ncz | D | V137 D216 | 3ND | | (3S,4R)-N-(7-CHLORO-1-OXO-1,4-DIHYDROISOQUINOLIN-6-YL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXAMIDE | 3ndm | B | V137 D216 | 3ND | | (3S,4R)-N-(7-CHLORO-1-OXO-1,4-DIHYDROISOQUINOLIN-6-YL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXAMIDE | 3ndm | C | V137 D216 | 3ND | | (3S,4R)-N-(7-CHLORO-1-OXO-1,4-DIHYDROISOQUINOLIN-6-YL)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXAMIDE | 3ndm | D | V137 D216 | 3J7 | | N~1~-[2-(1H-INDAZOL-5-YL)PYRIDO[3,4-D]PYRIMIDIN-4-YL]- 2-METHYLPROPANE-1,2-DIAMINE | 4w7p | A | V137 D216 | 3J7 | | N~1~-[2-(1H-INDAZOL-5-YL)PYRIDO[3,4-D]PYRIMIDIN-4-YL]- 2-METHYLPROPANE-1,2-DIAMINE | 4w7p | B | V137 D216 | 3J7 | | N~1~-[2-(1H-INDAZOL-5-YL)PYRIDO[3,4-D]PYRIMIDIN-4-YL]- 2-METHYLPROPANE-1,2-DIAMINE | 4w7p | C | V137 D216 | 3J7 | | N~1~-[2-(1H-INDAZOL-5-YL)PYRIDO[3,4-D]PYRIMIDIN-4-YL]- 2-METHYLPROPANE-1,2-DIAMINE | 4w7p | D | V137 D216 |
LBS | AA sequence | # species | Species |
A103 | TRKVYAMKLLS | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | A215 | GHLKLADFGTC | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | A86 | VIGRGAFGEVQ | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | D160 | YMPGGDLVNLM | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | D202 | RDVKPDNMLLD | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | D216 | HLKLADFGTCM | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E154 | LYMVMEYMPGG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | E89 | RGAFGEVQLVR | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | F120 | RSDSAFFWEER | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | F368 | IDTSNFDDLEE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | F87 | IGRGAFGEVQL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G83 | VVKVIGRGAFG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G85 | KVIGRGAFGEV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | G88 | GRGAFGEVQLV | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | I82 | EVVKVIGRGAF | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K105 | KVYAMKLLSKF | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | K200 | IHRDVKPDNML | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L106 | VYAMKLLSKFE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L107 | YAMKLLSKFEM | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | L205 | KPDNMLLDKSG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | M128 | EERDIMAFANS | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | M153 | YLYMVMEYMPG | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | M156 | MVMEYMPGGDL | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | N203 | DVKPDNMLLDK | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | R84 | VKVIGRGAFGE | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V137 | NSPWVVQLFYA | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | V90 | GAFGEVQLVRH | 3 | Homo sapiens, Mus musculus, Rattus norvegicus | Y155 | YMVMEYMPGGD | 3 | Homo sapiens, Mus musculus, Rattus norvegicus |