Target Binding Site Detail

Content Navigation (  All   None )                                      
Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
ACM1_HUMAN
Ligand General Information  Top
Ligand Name Cholesterol hemisuccinate Ligand Info
Canonical SMILES CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
InChI 1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKey WLNARFZDISHUGS-MIXBDBMTSA-N
PubChem Compound ID 65082
Drug Binding Sites of Target  Top
PDB ID: 6WJC      Muscarinic acetylcholine receptor 1 - muscarinic toxin 7 complex
Method X-ray diffraction Resolution 2.55 Å Mutation No [1]
PDB Sequence
APGKGPWQVA
26
FIGITTGLLS
36
LATVTGNLLV
46
LISFKVNTEL
56
KTVNNYFLLS
66

LACADLIIGT
76
FSMNLYTTYL
86
LMGHWALGTL
96
ACDLWLALDY
106
VASQARVMNL
116

LLISFDRYFS
126
VTRPLSYRAK
136
RTPRRAALMI
146
GLAWLVSFVL
156
WAPAILFWQY
166

LVGERTVLAG
176
QCYIQFLSQP
186
IITFGTAMAA
196
FYLPVTVMCT
206
LYWRIYRETE
216

NRNIFEMLRI
1008
DEGLRLKIYK
1018
DTEGYYTIGI
1028
GHLLTKSPSL
1038
NAAKSELDKA
1048

IGRNTNGVIT
1058
KDEAEKLFNQ
1068
DVDAAVRGIL
1078
RNAKLKPVYD
1088
SLDAVRRAAL
1098

INMVFQMGET
1108
GVAGFTNSLR
1118
MLQQKRWDEA
1128
AVNLAKSRWY
1138
NQTPNRAKRV
1148

ITTFRTGTWD
1158
AYFSLVKEKK
362
AARTLSAILL
372
AFILTWTPYN
382
IMVLVSTFCK
392

DCVPETLWEL
402
GYWLCYVNST
412
INPMCYALCN
422
KAFRDTFRLL
432
LLCRW
Residue
Distance (Å)
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
Residue
Distance (Å)
ILE73
4.384
PHE77
4.694
LEU104
4.284
PRO139
3.252
ARG140
4.127
ALA143
3.692
ILE146
3.597
TRP150
3.729
THR398
2.646
LEU399
3.202
LEU402
3.551
TRP405
3.772
LEU406
3.950
VAL409
3.772
THR412
4.282
ILE413
4.071
MET416
4.213
PDB ID: 5CXV      Structure of the human M1 muscarinic acetylcholine receptor bound to antagonist Tiotropium
Method X-ray diffraction Resolution 2.70 Å Mutation Yes [2]
PDB Sequence
KGPWQVAFIG
29
ITTGLLSLAT
39
VTGNLLVLIS
49
FKVNTELKTV
59
NNYFLLSLAC
69

ADLIIGTFSM
79
NLYTTYLLMG
89
HWALGTLACD
99
LWLALDYVAS
109
QASVMNLLLI
119

SFDRYFSVTR
129
PLSYRAKRTP
139
RRAALMIGLA
149
WLVSFVLWAP
159
AILFWQYLVG
169

ERTVLAGQCY
179
IQFLSQPIIT
189
FGTAMAAFYL
199
PVTVMCTLYW
209
RIYRETENRN
1001

IFEMLRIDEG
1011
LRLKIYKDTE
1021
GYYTIGIGHL
1031
LTKSPSLNAA
1041
KSELDKAIGR
1051

NTNGVITKDE
1061
AEKLFNQDVD
1071
AAVRGILRNA
1081
KLKPVYDSLD
1091
AVRRAALINM
1101

VFQMGETGVA
1111
GFTNSLRMLQ
1121
QKRWDEAAVN
1131
LAKSRWYNQT
1141
PNRAKRVITT
1151

FRTGTWDAYF
355
SLVKEKKAAR
365
TLSAILLAFI
375
LTWTPYNIMV
385
LVSTFCKDCV
395

PETLWELGYW
405
LCYVNSTINP
415
MCYALCNKAF
425
RDTFRLLLLC
435
RWDK
Residue
Distance (Å)
PHE50
3.576
LYS57
2.545
TYR62
3.327
LEU65
3.605
SER66
3.980
CYS69
3.722
ILE73
4.333
Residue
Distance (Å)
LEU104
4.031
VAL107
3.834
ALA143
4.009
ILE146
4.197
GLY147
4.058
TRP150
3.528
PHE154
3.721
PDB ID: 6OIJ      Muscarinic acetylcholine receptor 1-G11 protein complex
Method Electron microscopy Resolution 3.30 Å Mutation Yes [3]
PDB Sequence
PWQVAFIGIT
31
TGLLSLATVT
41
GNLLVLISFK
51
VNTELKTVNN
61
YFLLSLACAD
71

LIIGTFSMNL
81
YTTYLLMGHW
91
ALGTLACDLW
101
LALDYVASQA
111
SVMNLLLISF
121

DRYFSVTRPL
131
SYRAKRTPRR
141
AALMIGLAWL
151
VSFVLWAPAI
161
LFWQYLVGER
171

TVLAGQCYIQ
181
FLSQPIITFG
191
TAMAAFYLPV
201
TVMCTLYWRI
211
YRETENRARE
221

LAALQGEKKA
363
ARTLSAILLA
373
FILTWTPYNI
383
MVLVSTFCKD
393
CVPETLWELG
403

YWLCYVNSTI
413
NPMCYALCNK
423
AFRDTFRLLL
433
LCRWDKRRWR
443
KIP
Residue
Distance (Å)
TYR62
3.986
LEU65
3.791
SER66
3.919
CYS69
3.075
ILE73
4.035
LEU104
4.833
PRO139
3.626
ARG140
4.578
ALA143
2.715
ILE146
3.311
TRP150
3.463
Residue
Distance (Å)
TYR198
3.730
VAL201
3.865
THR202
3.712
CYS205
3.142
THR206
3.419
TRP209
4.192
ARG210
4.557
ILE375
4.517
THR379
4.098
ILE383
3.390
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 Structures of the M1 and M2 muscarinic acetylcholine receptor/G-protein complexes. Science. 2019 May 10;364(6440):552-557.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.