PDB
7V68
Resolution
3.4 Å
Released
May 11, 2022
Receptor
M4
Class
A
Species
Homo sapiens
Ligands
Function
LY2119620
PAM
iperoxo
Agonist
Reference
10.1038/S41467-022-30595-Y
LY2119620 iperoxo

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Ligand Amino Acid Generic Number Segment Interaction Type
LY2119620 Y89 2.61x60 TM2 Van der Waals
LY2119620 Y92 2.64x63 TM2 hydrophobic
LY2119620 G96 2.68x67 TM2 Van der Waals
iperoxo D112 3.32x32 TM3 polar (charge-charge)
iperoxo Y113 3.33x33 TM3 Van der Waals
iperoxo S116 3.36x36 TM3 Van der Waals
iperoxo N117 3.37x37 TM3 hydrophobic
iperoxo V120 3.40x40 TM3 Van der Waals
iperoxo W164 4.57x57 TM4 hydrophobic
LY2119620 F186 45.51x51 ECL2 aromatic (face-to-face)
LY2119620 F186 45.51x51 ECL2 hydrophobic
LY2119620 L190 ECL2 Van der Waals
LY2119620 S191 ECL2 Van der Waals
iperoxo A203 5.46x461 TM5 hydrophobic
iperoxo F204 5.47x47 TM5 Van der Waals
iperoxo W413 6.48x48 TM6 hydrophobic
iperoxo Y416 6.51x51 TM6 hydrophobic
LY2119620 N423 6.58x58 TM6 Van der Waals
LY2119620 C426 ECL3 Van der Waals
LY2119620 Q427 ECL3 Van der Waals
LY2119620 D432 7.32x31 TM7 hydrophobic
LY2119620 D432 7.32x31 TM7 polar (hydrogen bond)
LY2119620 W435 7.35x34 TM7 hydrophobic
LY2119620 W435 7.35x34 TM7 aromatic (face-to-face)
LY2119620 S436 7.36x35 TM7 Van der Waals
LY2119620 Y439 7.39x38 TM7 Van der Waals
iperoxo Y439 7.39x38 TM7 aromatic (pi-cation)
iperoxo C442 7.42x41 TM7 Van der Waals
iperoxo Y443 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
M4 receptor
TM2
2x60 2.61x60 Y89
2x63 2.64x63 Y92
2x67 2.68x67 G96
TM3
3x32 3.32x32 D112
3x33 3.33x33 Y113
3x36 3.36x36 S116
3x37 3.37x37 N117
3x40 3.40x40 V120
TM4
4x57 4.57x57 W164
ECL2
45x51 45.51x51 F186
TM5
5x461 5.46x461 A203
5x47 5.47x47 F204
TM6
6x48 6.48x48 W413
6x51 6.51x51 Y416
6x58 6.58x58 N423
TM7
7x31 7.32x31 D432
7x34 7.35x34 W435
7x35 7.36x35 S436
7x38 7.39x38 Y439
7x41 7.42x41 C442
7x42 7.43x42 Y443