PDB
9IQS
Resolution
3.6 Å
Released
July 23, 2025
Receptor
M4
Class
A
Species
Homo sapiens
Ligand
muscarinic toxin 3
Function
Antagonist
Reference
10.1038/S41467-025-61695-0

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Ligand Amino Acid Generic Number Segment Interaction Type
muscarinic toxin 3 Y89 2.61x60 TM2 hydrophobic
muscarinic toxin 3 Y92 2.64x63 TM2 hydrophobic
muscarinic toxin 3 Y97 23.49x49 ECL1 aromatic (edge-to-face)
muscarinic toxin 3 W108 3.28x28 TM3 hydrophobic
muscarinic toxin 3 F186 45.51x51 ECL2 hydrophobic
muscarinic toxin 3 I187 45.52x52 ECL2 Van der Waals
muscarinic toxin 3 I187 45.52x52 ECL2 polar (hydrogen bond with backbone)
muscarinic toxin 3 L190 ECL2 Van der Waals
muscarinic toxin 3 L190 ECL2 hydrophobic
muscarinic toxin 3 P193 5.36x37 TM5 hydrophobic
muscarinic toxin 3 P193 5.36x37 TM5 Van der Waals
muscarinic toxin 3 A194 5.37x38 TM5 Van der Waals
muscarinic toxin 3 A194 5.37x38 TM5 hydrophobic
muscarinic toxin 3 F197 5.40x41 TM5 hydrophobic
muscarinic toxin 3 Y416 6.51x51 TM6 polar (hydrogen bond)
muscarinic toxin 3 N423 6.58x58 TM6 Van der Waals
muscarinic toxin 3 N423 6.58x58 TM6 polar (hydrogen bond)
muscarinic toxin 3 Q427 ECL3 polar (hydrogen bond)
muscarinic toxin 3 Q427 ECL3 Van der Waals
muscarinic toxin 3 S428 ECL3 polar (hydrogen bond)
muscarinic toxin 3 S428 ECL3 Van der Waals
muscarinic toxin 3 D432 7.32x31 TM7 Van der Waals
muscarinic toxin 3 W435 7.35x34 TM7 hydrophobic
muscarinic toxin 3 W435 7.35x34 TM7 Van der Waals
muscarinic toxin 3 S436 7.36x35 TM7 Van der Waals
muscarinic toxin 3 Y439 7.39x38 TM7 Van der Waals
muscarinic toxin 3 Y439 7.39x38 TM7 hydrophobic

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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
ECL1
23x49 23.49x49 Y97
TM3
3x28 3.28x28 W108
ECL2
45x51 45.51x51 F186
45x52 45.52x52 I187
TM5
5x37 5.36x37 P193
5x38 5.37x38 A194
5x41 5.40x41 F197
TM6
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