Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T28893 | Target Info | |||
| Target Name | Muscarinic acetylcholine receptor M1 (CHRM1) | ||||
| Synonyms | M1 receptor | ||||
| Target Type | Successful Target | ||||
| Gene Name | CHRM1 | ||||
| Biochemical Class | GPCR rhodopsin | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Hyoscyamine | Ligand Info | |||||
| Structure Description | Muscarinic acetylcholine receptor 1 - muscarinic toxin 7 complex | PDB:6WJC | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [1] |
| PDB Sequence |
APGKGPWQVA
26 FIGITTGLLS36 LATVTGNLLV46 LISFKVNTEL56 KTVNNYFLLS66 LACADLIIGT 76 FSMNLYTTYL86 LMGHWALGTL96 ACDLWLALDY106 VASQARVMNL116 LLISFDRYFS 126 VTRPLSYRAK136 RTPRRAALMI146 GLAWLVSFVL156 WAPAILFWQY166 LVGERTVLAG 176 QCYIQFLSQP186 IITFGTAMAA196 FYLPVTVMCT206 LYWRIYRETE216 NRNIFEMLRI 1008 DEGLRLKIYK1018 DTEGYYTIGI1028 GHLLTKSPSL1038 NAAKSELDKA1048 IGRNTNGVIT 1058 KDEAEKLFNQ1068 DVDAAVRGIL1078 RNAKLKPVYD1088 SLDAVRRAAL1098 INMVFQMGET 1108 GVAGFTNSLR1118 MLQQKRWDEA1128 AVNLAKSRWY1138 NQTPNRAKRV1148 ITTFRTGTWD 1158 AYFSLVKEKK362 AARTLSAILL372 AFILTWTPYN382 IMVLVSTFCK392 DCVPETLWEL 402 GYWLCYVNST412 INPMCYALCN422 KAFRDTFRLL432 LLCRW
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| Ligand Name: Tiotropium | Ligand Info | |||||
| Structure Description | Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium | PDB:5CXV | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
KGPWQVAFIG
29 ITTGLLSLAT39 VTGNLLVLIS49 FKVNTELKTV59 NNYFLLSLAC69 ADLIIGTFSM 79 NLYTTYLLMG89 HWALGTLACD99 LWLALDYVAS109 QASVMNLLLI119 SFDRYFSVTR 129 PLSYRAKRTP139 RRAALMIGLA149 WLVSFVLWAP159 AILFWQYLVG169 ERTVLAGQCY 179 IQFLSQPIIT189 FGTAMAAFYL199 PVTVMCTLYW209 RIYRETENRN1001 IFEMLRIDEG 1011 LRLKIYKDTE1021 GYYTIGIGHL1031 LTKSPSLNAA1041 KSELDKAIGR1051 NTNGVITKDE 1061 AEKLFNQDVD1071 AAVRGILRNA1081 KLKPVYDSLD1091 AVRRAALINM1101 VFQMGETGVA 1111 GFTNSLRMLQ1121 QKRWDEAAVN1131 LAKSRWYNQT1141 PNRAKRVITT1151 FRTGTWDAYF 355 SLVKEKKAAR365 TLSAILLAFI375 LTWTPYNIMV385 LVSTFCKDCV395 PETLWELGYW 405 LCYVNSTINP415 MCYALCNKAF425 RDTFRLLLLC435 RWDK
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| Ligand Name: Oleic acid | Ligand Info | |||||
| Structure Description | Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A | PDB:6ZFZ | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [3] |
| PDB Sequence |
METVEMVAIA
29 TVAGLLSLAT39 VTGNILLMLS49 IKVNRQLQTV59 NNYFAFSLAC69 ADLIIGAFSM 79 NLYTVYIIMG89 HWALGALACD99 LALALDYVAS109 NAAVMNLLLI119 SFDRYFSVTR 129 PLSYRAKRTP139 RRALLMIGLA149 WLVSFVLWAP159 AILFWQYLVG169 ERTVLAGQCY 179 IQFLSQPIIT189 FGTAMATFYL199 PVTVMCTLYW209 RIYRETENRA219 NIFEMLRIDE 1011 GLRLKIYKDT1021 EGYYTIGIGH1031 LLTKSPSLNA1041 AKSELDKAIG1051 RNTNGVITKD 1061 EAEKLFNQDV1071 DAAVRGILRN1081 AKLKPVYDSL1091 DAVRRAALIN1101 MVFQMGETGV 1111 AGFTNSLRML1121 QQKRWDEAAV1131 NLAKSRWYNQ1141 TPNRAKRVIT1151 TFRTGTWDAY 1161 TFSLVKEKAA363 LRTLSAILLA373 FILTWTPYNI383 MVLVSTFCKD393 CVPETLWELG 403 YWLCYVNATI413 NPMCYALCNK423 AFRDTFRLLL433 LARWDH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .OLA or .OLA2 or .OLA3 or :3OLA;style chemicals stick;color identity;select .A:27 or .A:28 or .A:31 or .A:44 or .A:47 or .A:48 or .A:50 or .A:51 or .A:57 or .A:62 or .A:65 or .A:66 or .A:69 or .A:72 or .A:73 or .A:77 or .A:81 or .A:92 or .A:93 or .A:97 or .A:100 or .A:101 or .A:103 or .A:104 or .A:107 or .A:114 or .A:117 or .A:118 or .A:121 or .A:125 or .A:139 or .A:141 or .A:143 or .A:144 or .A:145 or .A:146 or .A:147 or .A:148 or .A:149 or .A:150 or .A:151 or .A:152 or .A:154 or .A:155 or .A:158 or .A:162 or .A:398 or .A:402 or .A:413 or .A:416 or .A:417 or .A:420; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
ALA27
4.191
ILE28
3.843
VAL31
3.940
ILE44
4.366
MET47
3.895
LEU48
4.126
ILE50
3.871
LYS51
3.786
GLN57
3.472
TYR62
2.842
PHE65
3.566
SER66
4.457
CYS69
3.992
LEU72
3.911
ILE73
3.794
PHE77
3.678
LEU81
3.819
ALA92
4.869
LEU93
3.744
ALA97
3.991
LEU100
3.472
ALA101
4.074
ALA103
4.057
LEU104
3.745
VAL107
3.707
MET114
3.660
LEU117
4.547
LEU118
3.795
PHE121
3.690
PHE125
3.406
PRO139
4.609
ARG141
3.927
LEU143
2.886
LEU144
4.932
MET145
4.384
ILE146
3.789
GLY147
3.565
LEU148
4.026
ALA149
3.918
TRP150
3.728
LEU151
3.753
VAL152
4.893
PHE154
3.619
VAL155
3.973
ALA158
4.383
LEU162
4.343
THR398
2.978
LEU402
4.048
ILE413
3.839
MET416
3.864
CYS417
3.801
LEU420
3.772
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Acetamide | Ligand Info | |||||
| Structure Description | Muscarinic acetylcholine receptor 1 - muscarinic toxin 7 complex | PDB:6WJC | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [1] |
| PDB Sequence |
APGKGPWQVA
26 FIGITTGLLS36 LATVTGNLLV46 LISFKVNTEL56 KTVNNYFLLS66 LACADLIIGT 76 FSMNLYTTYL86 LMGHWALGTL96 ACDLWLALDY106 VASQARVMNL116 LLISFDRYFS 126 VTRPLSYRAK136 RTPRRAALMI146 GLAWLVSFVL156 WAPAILFWQY166 LVGERTVLAG 176 QCYIQFLSQP186 IITFGTAMAA196 FYLPVTVMCT206 LYWRIYRETE216 NRNIFEMLRI 1008 DEGLRLKIYK1018 DTEGYYTIGI1028 GHLLTKSPSL1038 NAAKSELDKA1048 IGRNTNGVIT 1058 KDEAEKLFNQ1068 DVDAAVRGIL1078 RNAKLKPVYD1088 SLDAVRRAAL1098 INMVFQMGET 1108 GVAGFTNSLR1118 MLQQKRWDEA1128 AVNLAKSRWY1138 NQTPNRAKRV1148 ITTFRTGTWD 1158 AYFSLVKEKK362 AARTLSAILL372 AFILTWTPYN382 IMVLVSTFCK392 DCVPETLWEL 402 GYWLCYVNST412 INPMCYALCN422 KAFRDTFRLL432 LLCRW
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ACM or .ACM2 or .ACM3 or :3ACM;style chemicals stick;color identity;select .A:365 or .A:369 or .A:417 or .A:420 or .A:421; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Iperoxo | Ligand Info | |||||
| Structure Description | Muscarinic acetylcholine receptor 1-G11 protein complex | PDB:6OIJ | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | Yes | [4] |
| PDB Sequence |
PWQVAFIGIT
31 TGLLSLATVT41 GNLLVLISFK51 VNTELKTVNN61 YFLLSLACAD71 LIIGTFSMNL 81 YTTYLLMGHW91 ALGTLACDLW101 LALDYVASQA111 SVMNLLLISF121 DRYFSVTRPL 131 SYRAKRTPRR141 AALMIGLAWL151 VSFVLWAPAI161 LFWQYLVGER171 TVLAGQCYIQ 181 FLSQPIITFG191 TAMAAFYLPV201 TVMCTLYWRI211 YRETENRARE221 LAALQGEKKA 363 ARTLSAILLA373 FILTWTPYNI383 MVLVSTFCKD393 CVPETLWELG403 YWLCYVNSTI 413 NPMCYALCNK423 AFRDTFRLLL433 LCRWDKRRWR443 KIP
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .IXO or .IXO2 or .IXO3 or :3IXO;style chemicals stick;color identity;select .R:105 or .R:106 or .R:109 or .R:110 or .R:113 or .R:157 or .R:196 or .R:197 or .R:378 or .R:381 or .R:382 or .R:404 or .R:407 or .R:408; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 1-[3-(4-Butylpiperidin-1-yl)propyl]-3,4-dihydroquinolin-2-one | Ligand Info | |||||
| Structure Description | Structure of M1-StaR-T4L in complex with 77-LH-28-1 at 2.17A | PDB:6ZFZ | ||||
| Method | X-ray diffraction | Resolution | 2.17 Å | Mutation | Yes | [3] |
| PDB Sequence |
METVEMVAIA
29 TVAGLLSLAT39 VTGNILLMLS49 IKVNRQLQTV59 NNYFAFSLAC69 ADLIIGAFSM 79 NLYTVYIIMG89 HWALGALACD99 LALALDYVAS109 NAAVMNLLLI119 SFDRYFSVTR 129 PLSYRAKRTP139 RRALLMIGLA149 WLVSFVLWAP159 AILFWQYLVG169 ERTVLAGQCY 179 IQFLSQPIIT189 FGTAMATFYL199 PVTVMCTLYW209 RIYRETENRA219 NIFEMLRIDE 1011 GLRLKIYKDT1021 EGYYTIGIGH1031 LLTKSPSLNA1041 AKSELDKAIG1051 RNTNGVITKD 1061 EAEKLFNQDV1071 DAAVRGILRN1081 AKLKPVYDSL1091 DAVRRAALIN1101 MVFQMGETGV 1111 AGFTNSLRML1121 QQKRWDEAAV1131 NLAKSRWYNQ1141 TPNRAKRVIT1151 TFRTGTWDAY 1161 TFSLVKEKAA363 LRTLSAILLA373 FILTWTPYNI383 MVLVSTFCKD393 CVPETLWELG 403 YWLCYVNATI413 NPMCYALCNK423 AFRDTFRLLL433 LARWDH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QJT or .QJT2 or .QJT3 or :3QJT;style chemicals stick;color identity;select .A:77 or .A:78 or .A:81 or .A:82 or .A:85 or .A:91 or .A:101 or .A:102 or .A:105 or .A:106 or .A:109 or .A:110 or .A:157 or .A:178 or .A:196 or .A:378 or .A:381 or .A:404 or .A:407 or .A:408; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: ethyl (4S)-4-[4-[(1-methylcyclobutyl)carbamoyl]piperidin-1-yl]azepane-1-carboxylate | Ligand Info | |||||
| Structure Description | Structure of M1-StaR-T4L in complex with HTL0009936 at 2.35A | PDB:6ZG4 | ||||
| Method | X-ray diffraction | Resolution | 2.33 Å | Mutation | Yes | [3] |
| PDB Sequence |
METVEMVAIA
29 TVAGLLSLAT39 VTGNILLMLS49 IKVNRQLQTV59 NNYFAFSLAC69 ADLIIGAFSM 79 NLYTVYIIMG89 HWALGALACD99 LALALDYVAS109 NAAVMNLLLI119 SFDRYFSVTR 129 PLSYRAKRTP139 RRALLMIGLA149 WLVSFVLWAP159 AILFWQYLVG169 ERTVLAGQCY 179 IQFLSQPIIT189 FGTAMATFYL199 PVTVMCTLYW209 RIYRETENRA219 NIFEMLRIDE 1011 GLRLKIYKDT1021 EGYYTIGIGH1031 LLTKSPSLNA1041 AKSELDKAIG1051 RNTNGVITKD 1061 EAEKLFNQDV1071 DAAVRGILRN1081 AKLKPVYDSL1091 DAVRRAALIN1101 MVFQMGETGV 1111 AGFTNSLRML1121 QQKRWDEAAV1131 NLAKSRWYNQ1141 TPNRAKRVIT1151 TFRTGTWDAY 1161 TFSLVKEKAA363 LRTLSAILLA373 FILTWTPYNI383 MVLVSTFCKD393 CVPETLWELG 403 YWLCYVNATI413 NPMCYALCNK423 AFRDTFRLLL433 LARWDH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QK8 or .QK82 or .QK83 or :3QK8;style chemicals stick;color identity;select .A:81 or .A:82 or .A:85 or .A:91 or .A:98 or .A:101 or .A:102 or .A:105 or .A:106 or .A:109 or .A:110 or .A:113 or .A:157 or .A:178 or .A:196 or .A:378 or .A:381 or .A:404 or .A:407 or .A:408; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 4-Fluoro-6-methyl-1-(1-(tetrahydro-2H-pyran-4-yl)-4-piperidinyl)-1,3-dihydro-2H-benzimidazol-2-one | Ligand Info | |||||
| Structure Description | Structure of M1-StaR-T4L in complex with GSK1034702 at 2.5A | PDB:6ZG9 | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | Yes | [3] |
| PDB Sequence |
METVEMVAIA
29 TVAGLLSLAT39 VTGNILLMLS49 IKVNRQLQTV59 NNYFAFSLAC69 ADLIIGAFSM 79 NLYTVYIIMG89 HWALGALACD99 LALALDYVAS109 NAAVMNLLLI119 SFDRYFSVTR 129 PLSYRAKRTP139 RRALLMIGLA149 WLVSFVLWAP159 AILFWQYLVG169 ERTVLAGQCY 179 IQFLSQPIIT189 FGTAMATFYL199 PVTVMCTLYW209 RIYRETENRA219 NIFEMLRIDE 1011 GLRLKIYKDT1021 EGYYTIGIGH1031 LLTKSPSLNA1041 AKSELDKAIG1051 RNTNGVITKD 1061 EAEKLFNQDV1071 DAAVRGILRN1081 AKLKPVYDSL1091 DAVRRAALIN1101 MVFQMGETGV 1111 AGFTNSLRML1121 QQKRWDEAAV1131 NLAKSRWYNQ1141 TPNRAKRVIT1151 TFRTGTWDAY 1161 TFSLVKEKAA363 LRTLSAILLA373 FILTWTPYNI383 MVLVSTFCKD393 CVPETLWELG 403 YWLCYVNATI413 NPMCYALCNK423 AFRDTFRLLL433 LARWDH
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .QK2 or .QK22 or .QK23 or :3QK2;style chemicals stick;color identity;select .A:77 or .A:78 or .A:81 or .A:82 or .A:85 or .A:91 or .A:101 or .A:102 or .A:105 or .A:106 or .A:109 or .A:178 or .A:179 or .A:180 or .A:378 or .A:381 or .A:404 or .A:407 or .A:408; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cholesterol hemisuccinate | Ligand Info | |||||
| Structure Description | Muscarinic acetylcholine receptor 1 - muscarinic toxin 7 complex | PDB:6WJC | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [1] |
| PDB Sequence |
APGKGPWQVA
26 FIGITTGLLS36 LATVTGNLLV46 LISFKVNTEL56 KTVNNYFLLS66 LACADLIIGT 76 FSMNLYTTYL86 LMGHWALGTL96 ACDLWLALDY106 VASQARVMNL116 LLISFDRYFS 126 VTRPLSYRAK136 RTPRRAALMI146 GLAWLVSFVL156 WAPAILFWQY166 LVGERTVLAG 176 QCYIQFLSQP186 IITFGTAMAA196 FYLPVTVMCT206 LYWRIYRETE216 NRNIFEMLRI 1008 DEGLRLKIYK1018 DTEGYYTIGI1028 GHLLTKSPSL1038 NAAKSELDKA1048 IGRNTNGVIT 1058 KDEAEKLFNQ1068 DVDAAVRGIL1078 RNAKLKPVYD1088 SLDAVRRAAL1098 INMVFQMGET 1108 GVAGFTNSLR1118 MLQQKRWDEA1128 AVNLAKSRWY1138 NQTPNRAKRV1148 ITTFRTGTWD 1158 AYFSLVKEKK362 AARTLSAILL372 AFILTWTPYN382 IMVLVSTFCK392 DCVPETLWEL 402 GYWLCYVNST412 INPMCYALCN422 KAFRDTFRLL432 LLCRW
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .Y01 or .Y012 or .Y013 or :3Y01;style chemicals stick;color identity;select .A:23 or .A:24 or .A:26 or .A:27 or .A:30 or .A:31 or .A:34 or .A:35 or .A:47 or .A:50 or .A:51 or .A:57 or .A:62 or .A:65 or .A:66 or .A:69 or .A:72 or .A:73 or .A:77 or .A:104 or .A:139 or .A:140 or .A:143 or .A:146 or .A:150 or .A:398 or .A:399 or .A:402 or .A:405 or .A:406 or .A:409 or .A:412 or .A:413 or .A:416; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TRP23
3.708
GLN24
3.089
ALA26
4.486
PHE27
3.372
ILE30
3.859
THR31
3.669
LEU34
3.824
LEU35
3.635
LEU47
3.504
PHE50
3.333
LYS51
3.330
LYS57
3.301
TYR62
3.415
LEU65
4.172
SER66
4.775
CYS69
3.699
LEU72
3.806
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure and selectivity engineering of the M(1) muscarinic receptor toxin complex. Science. 2020 Jul 10;369(6500):161-167. | ||||
| REF 2 | Crystal structures of the M1 and M4 muscarinic acetylcholine receptors. Nature. 2016 Mar 17;531(7594):335-40. | ||||
| REF 3 | From structure to clinic: Design of a muscarinic M1 receptor agonist with potential to treatment of Alzheimer's disease. Cell. 2021 Nov 24;184(24):5886-5901.e22. | ||||
| REF 4 | Structures of the M1 and M2 muscarinic acetylcholine receptor/G-protein complexes. Science. 2019 May 10;364(6440):552-557. | ||||
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