PDB
9IQV
Resolution
3.3 Å
Released
July 23, 2025
Receptor
α1A
Class
A
Species
Homo sapiens
Ligand
Function
muscarinic toxin 3
Antagonist
Reference
10.1038/S41467-025-61695-0

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Ligand Amino Acid Generic Number Segment Interaction Type
muscarinic toxin 3 S83 2.61x60 TM2 Van der Waals
muscarinic toxin 3 F86 2.64x63 TM2 aromatic (edge-to-face)
muscarinic toxin 3 E87 2.65x64 TM2 Van der Waals
muscarinic toxin 3 L89 2.67x66 TM2 Van der Waals
muscarinic toxin 3 G90 2.68x67 TM2 Van der Waals
muscarinic toxin 3 Y91 23.49x49 ECL1 hydrophobic
muscarinic toxin 3 Y91 23.49x49 ECL1 aromatic (edge-to-face)
muscarinic toxin 3 W102 3.28x28 TM3 Van der Waals
muscarinic toxin 3 D106 3.32x32 TM3 polar (charge-charge)
muscarinic toxin 3 V107 3.33x33 TM3 Van der Waals
muscarinic toxin 3 C110 3.36x36 TM3 Van der Waals
muscarinic toxin 3 P170 ECL2 hydrophobic
muscarinic toxin 3 E171 ECL2 polar (hydrogen bond)
muscarinic toxin 3 D172 ECL2 polar (hydrogen bond)
muscarinic toxin 3 T174 ECL2 Van der Waals
muscarinic toxin 3 I175 ECL2 hydrophobic
muscarinic toxin 3 Q177 45.51x51 ECL2 Van der Waals
muscarinic toxin 3 E180 ECL2 hydrophobic
muscarinic toxin 3 E180 ECL2 polar (charge-charge)
muscarinic toxin 3 E181 5.35x36 TM5 polar (hydrogen bond)
muscarinic toxin 3 P182 5.36x37 TM5 Van der Waals
muscarinic toxin 3 G183 5.37x38 TM5 Van der Waals
muscarinic toxin 3 L186 5.40x41 TM5 hydrophobic
muscarinic toxin 3 W285 6.48x48 TM6 Van der Waals
muscarinic toxin 3 F288 6.51x51 TM6 hydrophobic
muscarinic toxin 3 M292 6.55x55 TM6 Van der Waals
muscarinic toxin 3 F297 6.60x60 TM6 Van der Waals
muscarinic toxin 3 P299 ECL3 hydrophobic
muscarinic toxin 3 K302 ECL3 hydrophobic
muscarinic toxin 3 E305 7.32x31 TM7 hydrophobic
muscarinic toxin 3 E305 7.32x31 TM7 polar (hydrogen bond)
muscarinic toxin 3 F308 7.35x34 TM7 hydrophobic
muscarinic toxin 3 K309 7.36x35 TM7 polar (hydrogen bond)
muscarinic toxin 3 F312 7.39x38 TM7 hydrophobic
muscarinic toxin 3 Y316 7.43x42 TM7 Van der Waals

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ICL1 R H L H ICL1ECL1 Y W A F ECL1ICL2 P L R Y P T I V ICL2ECL2 R Q P A P E D E T I C Q I N E ECL2ICL3 K T D K S D S E Q V T L R I H R K N A P A G G S G M A S A K T K T H F S V R ICL3ECL3 P D F K P ECL3N-term M V F L S G N A S D S S N C T Q P P A N-termC-term I Q C L C R K Q S S K H A L G Y T L H P P S Q A V E G Q H K D M V R I P V G S R E T F Y R I S K T D G V C E W K F F S S M P R G S A R I T V S K D Q S S C T T A R V R S K S F L Q V C C C V G P S T P S L D K N H Q V P T I K V H T I S L S E N G E E V C-term P V N I S K A I L L G V I L G G L I L F G V L G N I L V I L S V A C H S V T H Y Y I V N L A V A D L L L T S T V L P F S A I F E V L G G R V F C N I W A A V D V L C C T A S I M G L C I I S I D R Y I G V S Y T Q R R G L M A L L C V W A L S L V I S I G P L F G W E P G Y V L F S A L G S F Y L P L A I I L V M Y C R V Y V V A K R E S R G L K S G L L L K F S R E K K A A K T L G I V V G C F V L C W L P F F L V M P I G S F F S E T V F K I V F W L G Y L N S C I N P I I Y P C S S Q E F Q N F K K A V L R
Helix box plot — Download: PNG | SVG I N G L V G F L I L G G L I V G L L I A 1 V N L A V A D L L L T T S V L P F S A I F 2 I C L G M I S A T C C L V D V A A W I N 3 G L M A L L C V W A L S L V I S I G P L 4 Y M V L I I A L P L Y F S G L A S F L V Y 5 G I V V G C F V L C W L P F F L V M P I 6 I P N I C S N L Y G L W F V I K F V T 7

GPCRdb(A)
GPCRdb(A)
α1A-adrenoceptor
TM2
2x60 2.61x60 S83
2x63 2.64x63 F86
2x64 2.65x64 E87
2x66 2.67x66 L89
2x67 2.68x67 G90
ECL1
23x49 23.49x49 Y91
TM3
3x28 3.28x28 W102
3x32 3.32x32 D106
3x33 3.33x33 V107
3x36 3.36x36 C110
ECL2
45x51 45.51x51 Q177
TM5
5x36 5.35x36 E181
5x37 5.36x37 P182
5x38 5.37x38 G183
5x41 5.40x41 L186
TM6
6x48 6.48x48 W285
6x51 6.51x51 F288
6x55 6.55x55 M292
6x60 6.60x60 F297
TM7
7x31 7.32x31 E305
7x34 7.35x34 F308
7x35 7.36x35 K309
7x38 7.39x38 F312
7x42 7.43x42 Y316