PDB
4MQT
Resolution
3.7 Å
Released
Nov. 27, 2013
Receptor
M2
Class
A
Species
Homo sapiens
Ligands
LY2119620
iperoxo
Function
Ago-PAM
Agonist
Reference
10.1038/NATURE12735
LY2119620 iperoxo

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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 Van der Waals
LY2119620 Y83 2.64x63 TM2 hydrophobic
LY2119620 Y83 2.64x63 TM2 Van der Waals
LY2119620 T84 2.65x64 TM2 Van der Waals
iperoxo Y104 3.33x33 TM3 hydrophobic
iperoxo V111 3.40x40 TM3 hydrophobic
iperoxo W155 4.57x57 TM4 hydrophobic
LY2119620 E172 ECL2 Van der Waals
LY2119620 Y177 45.51x51 ECL2 aromatic (face-to-face)
LY2119620 Y177 45.51x51 ECL2 Van der Waals
iperoxo A194 5.46x461 TM5 hydrophobic
iperoxo F195 5.47x47 TM5 hydrophobic
iperoxo W400 6.48x48 TM6 hydrophobic
iperoxo Y403 6.51x51 TM6 hydrophobic
iperoxo N404 6.52x52 TM6 Van der Waals
iperoxo N404 6.52x52 TM6 polar (hydrogen bond)
LY2119620 N410 6.58x58 TM6 Van der Waals
LY2119620 N410 6.58x58 TM6 polar (hydrogen bond)
LY2119620 A414 ECL3 Van der Waals
LY2119620 A414 ECL3 hydrophobic
LY2119620 N419 7.32x31 TM7 polar (hydrogen bond)
LY2119620 W422 7.35x34 TM7 aromatic (face-to-face)
LY2119620 W422 7.35x34 TM7 Van der Waals
LY2119620 T423 7.36x35 TM7 Van der Waals
iperoxo Y426 7.39x38 TM7 hydrophobic
iperoxo Y426 7.39x38 TM7 Van der Waals
LY2119620 Y426 7.39x38 TM7 Van der Waals
iperoxo C429 7.42x41 TM7 Van der Waals
iperoxo Y430 7.43x42 TM7 hydrophobic
iperoxo 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
2x64 2.65x64 T84
TM3
3x33 3.33x33 Y104
3x40 3.40x40 V111
TM4
4x57 4.57x57 W155
ECL2
45x51 45.51x51 Y177
TM5
5x461 5.46x461 A194
5x47 5.47x47 F195
TM6
6x48 6.48x48 W400
6x51 6.51x51 Y403
6x52 6.52x52 N404
6x58 6.58x58 N410
TM7
7x31 7.32x31 N419
7x34 7.35x34 W422
7x35 7.36x35 T423
7x38 7.39x38 Y426
7x41 7.42x41 C429
7x42 7.43x42 Y430