PDB
5YC8
Resolution
2.5 Å
Released
Nov. 21, 2018
Receptor
M2
Class
A
Species
Homo sapiens
Ligand
METHSCOPOLAMINE
Function
Inverse agonist
Reference
10.1038/S41589-018-0152-Y

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Ligand Amino Acid Generic Number Segment Interaction Type
METHSCOPOLAMINE D103 3.32x32 TM3 polar (hydrogen bond with backbone)
METHSCOPOLAMINE D103 3.32x32 TM3 Van der Waals
METHSCOPOLAMINE Y104 3.33x33 TM3 hydrophobic
METHSCOPOLAMINE Y104 3.33x33 TM3 Van der Waals
METHSCOPOLAMINE S107 3.36x36 TM3 Van der Waals
METHSCOPOLAMINE S107 3.36x36 TM3 polar (hydrogen bond)
METHSCOPOLAMINE N108 3.37x37 TM3 Van der Waals
METHSCOPOLAMINE W155 4.57x57 TM4 hydrophobic
METHSCOPOLAMINE W155 4.57x57 TM4 Van der Waals
METHSCOPOLAMINE A191 5.43x44 TM5 Van der Waals
METHSCOPOLAMINE A194 5.46x461 TM5 Van der Waals
METHSCOPOLAMINE A194 5.46x461 TM5 hydrophobic
METHSCOPOLAMINE W400 6.48x48 TM6 Van der Waals
METHSCOPOLAMINE W400 6.48x48 TM6 aromatic (edge-to-face)
METHSCOPOLAMINE Y403 6.51x51 TM6 hydrophobic
METHSCOPOLAMINE Y403 6.51x51 TM6 Van der Waals
METHSCOPOLAMINE N404 6.52x52 TM6 polar (hydrogen bond)
METHSCOPOLAMINE N404 6.52x52 TM6 Van der Waals
METHSCOPOLAMINE Y426 7.39x38 TM7 hydrophobic
METHSCOPOLAMINE Y426 7.39x38 TM7 Van der Waals
METHSCOPOLAMINE C429 7.42x41 TM7 hydrophobic
METHSCOPOLAMINE C429 7.42x41 TM7 Van der Waals
METHSCOPOLAMINE Y430 7.43x42 TM7 hydrophobic
METHSCOPOLAMINE Y430 7.43x42 TM7 Van der Waals

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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
TM3
3x32 3.32x32 D103
3x33 3.33x33 Y104
3x36 3.36x36 S107
3x37 3.37x37 N108
TM4
4x57 4.57x57 W155
TM5
5x44 5.43x44 A191
5x461 5.46x461 A194
TM6
6x48 6.48x48 W400
6x51 6.51x51 Y403
6x52 6.52x52 N404
TM7
7x38 7.39x38 Y426
7x41 7.42x41 C429
7x42 7.43x42 Y430