PDB
Resolution
3.2 Å
Released
Jan. 25, 2023
Receptor
Class
A
Species
Homo sapiens
Ligands
Function
acetylcholine
Agonist
LY2119620
PAM
Reference
—
acetylcholine LY2119620

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Ligand Amino Acid Generic Number Segment Interaction Type
LY2119620 Y80 2.61x60 TM2 polar (hydrogen bond)
LY2119620 Y80 2.61x60 TM2 polar (hydrogen bond)
LY2119620 Y83 2.64x63 TM2 Van der Waals
acetylcholine D103 3.32x32 TM3 polar (charge-charge)
acetylcholine Y104 3.33x33 TM3 Van der Waals
acetylcholine S107 3.36x36 TM3 Van der Waals
acetylcholine N108 3.37x37 TM3 Van der Waals
acetylcholine W155 4.57x57 TM4 Van der Waals
LY2119620 Y177 45.51x51 ECL2 hydrophobic
LY2119620 I178 45.52x52 ECL2 hydrophobic
LY2119620 F181 ECL2 Van der Waals
acetylcholine A194 5.46x461 TM5 hydrophobic
acetylcholine W400 6.48x48 TM6 aromatic (pi-cation)
acetylcholine W400 6.48x48 TM6 hydrophobic
acetylcholine Y403 6.51x51 TM6 aromatic (pi-cation)
LY2119620 N410 6.58x58 TM6 polar (hydrogen bond)
LY2119620 N419 7.32x31 TM7 Van der Waals
LY2119620 T420 7.33x32 TM7 Van der Waals
LY2119620 W422 7.35x34 TM7 hydrophobic
LY2119620 T423 7.36x35 TM7 Van der Waals
LY2119620 Y426 7.39x38 TM7 hydrophobic
acetylcholine Y426 7.39x38 TM7 aromatic (pi-cation)
acetylcholine C429 7.42x41 TM7 Van der Waals
acetylcholine Y430 7.43x42 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
ICL1 R H L Q ICL1ECL1 Y W P L ECL1ICL2 P L T Y P V K R ICL2ECL2 V R T V E D G E C Y I Q F F S ECL2ICL3 P V A N Q D P V S P S L V Q G R I V K P N N N N M P S S D D G L E H N K I Q N G K A P R D P V T E N C V Q G E E K E S S N D S T S V S A V A S N M R D D E I T Q D E N T V S T S L G H S K D E N S K Q T C I R I G T K T P K S D S C T P T N T T V E V V G S S G Q N G D E K Q N I V A R K I V K M T K Q P A K K ICL3ECL3 A P C I ECL3N-term M N N S T N S S N N S L A L T S P Y N-termC-term C H Y K N I G A T R C-term K T F E V V F I V L V A G S L S L V T I I G N I L V M V S I K V N T V N N Y F L F S L A C A D L I I G V F S M N L Y T L Y T V I G G P V V C D L W L A L D Y V V S N A S V M N L L I I S F D R Y F C V T K T T K M A G M M I A A A W V L S F I L W A P A I L F W Q F I V G N A A V T F G T A I A A F Y L P V I I M T V L Y W H I S R A S K S R I K K D K K E K P P P S R E K K V T R T I L A I L L A F I I T W A P Y N V M V L I N T F C P N T V W T I G Y W L C Y I N S T I N P A C Y A L C N A T F K H F K K T L L M
Helix box plot — Download: PNG | SVG I N G I I T V L S L S G A V L V I F V V 1 F S L A C A D L I I G F V S M N L Y T L Y 2 I L L N M V S A N S V V Y D L A L W L D 3 A G M M I A A A W V L S F I L W A P A I 4 Y L V T M I I V P L Y F A A I A T G F T V 5 L A I L L A F I I T W A P Y N V M V L I 6 A P N I T S N I Y C L W Y G I T W V T 7

GPCRdb(A)
GPCRdb(A)
M2 receptor
TM2
2x60 2.61x60 Y80
2x63 2.64x63 Y83
TM3
3x32 3.32x32 D103
3x33 3.33x33 Y104
3x36 3.36x36 S107
3x37 3.37x37 N108
TM4
4x57 4.57x57 W155
ECL2
45x51 45.51x51 Y177
45x52 45.52x52 I178
TM5
5x461 5.46x461 A194
TM6
6x48 6.48x48 W400
6x51 6.51x51 Y403
6x58 6.58x58 N410
TM7
7x31 7.32x31 N419
7x32 7.33x32 T420
7x34 7.35x34 W422
7x35 7.36x35 T423
7x38 7.39x38 Y426
7x41 7.42x41 C429
7x42 7.43x42 Y430