PDB
7TRP
Resolution
2.4 Å
Released
May 17, 2023
Receptor
M4
Class
A
Species
Homo sapiens
Ligands
LY2033298
iperoxo
Function
PAM
Agonist
Reference
—
LY2033298 iperoxo

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Ligand Amino Acid Generic Number Segment Interaction Type
LY2033298 Y89 2.61x60 TM2 polar (hydrogen bond)
LY2033298 Y89 2.61x60 TM2 Van der Waals
LY2033298 Y92 2.64x63 TM2 Van der Waals
LY2033298 Y92 2.64x63 TM2 hydrophobic
LY2033298 I93 2.65x64 TM2 Van der Waals
iperoxo Y113 3.33x33 TM3 hydrophobic
iperoxo N117 3.37x37 TM3 polar (hydrogen bond with backbone)
iperoxo N117 3.37x37 TM3 Van der Waals
iperoxo W164 4.57x57 TM4 hydrophobic
iperoxo W164 4.57x57 TM4 Van der Waals
LY2033298 F186 45.51x51 ECL2 Van der Waals
LY2033298 F186 45.51x51 ECL2 aromatic (face-to-face)
LY2033298 L190 ECL2 Van der Waals
LY2033298 L190 ECL2 hydrophobic
iperoxo A203 5.46x461 TM5 Van der Waals
iperoxo F204 5.47x47 TM5 Van der Waals
iperoxo W413 6.48x48 TM6 hydrophobic
iperoxo W413 6.48x48 TM6 Van der Waals
iperoxo Y416 6.51x51 TM6 Van der Waals
iperoxo Y416 6.51x51 TM6 hydrophobic
iperoxo N417 6.52x52 TM6 Van der Waals
iperoxo N417 6.52x52 TM6 polar (hydrogen bond)
LY2033298 N423 6.58x58 TM6 Van der Waals
LY2033298 D432 7.32x31 TM7 Van der Waals
LY2033298 W435 7.35x34 TM7 Van der Waals
LY2033298 W435 7.35x34 TM7 aromatic (face-to-face)
LY2033298 Y439 7.39x38 TM7 Van der Waals
iperoxo Y439 7.39x38 TM7 hydrophobic
iperoxo Y439 7.39x38 TM7 Van der Waals
iperoxo C442 7.42x41 TM7 hydrophobic
iperoxo C442 7.42x41 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
2x64 2.65x64 I93
TM3
3x33 3.33x33 Y113
3x37 3.37x37 N117
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
6x52 6.52x52 N417
6x58 6.58x58 N423
TM7
7x31 7.32x31 D432
7x34 7.35x34 W435
7x38 7.39x38 Y439
7x41 7.42x41 C442