PDB
9IQR
Resolution
3.4 Å
Released
July 23, 2025
Receptor
α2A
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 N108 2.64x63 TM2 Van der Waals
muscarinic toxin 3 E109 2.65x64 TM2 Van der Waals
muscarinic toxin 3 Y124 3.28x28 TM3 hydrophobic
muscarinic toxin 3 L125 3.29x29 TM3 hydrophobic
muscarinic toxin 3 D128 3.32x32 TM3 polar (charge-charge)
muscarinic toxin 3 V129 3.33x33 TM3 Van der Waals
muscarinic toxin 3 E200 ECL2 Van der Waals
muscarinic toxin 3 R202 ECL2 Van der Waals
muscarinic toxin 3 C203 45.50x50 ECL2 Van der Waals
muscarinic toxin 3 E204 45.51x51 ECL2 Van der Waals
muscarinic toxin 3 I205 45.52x52 ECL2 Van der Waals
muscarinic toxin 3 K209 ECL2 hydrophobic
muscarinic toxin 3 W210 5.37x38 TM5 Van der Waals
muscarinic toxin 3 I213 5.40x41 TM5 hydrophobic
muscarinic toxin 3 S215 5.42x43 TM5 Van der Waals
muscarinic toxin 3 F405 6.51x51 TM6 Van der Waals
muscarinic toxin 3 Y409 6.55x55 TM6 aromatic (pi-cation)
muscarinic toxin 3 Y409 6.55x55 TM6 polar (hydrogen bond)
muscarinic toxin 3 T412 6.58x58 TM6 hydrophobic
muscarinic toxin 3 A413 6.59x59 TM6 Van der Waals
muscarinic toxin 3 V414 6.60x60 TM6 polar (hydrogen bond with backbone)
muscarinic toxin 3 G415 6.61x61 TM6 polar (hydrogen bond with backbone)
muscarinic toxin 3 V418 ECL3 hydrophobic
muscarinic toxin 3 R420 7.32x31 TM7 aromatic (pi-cation)
muscarinic toxin 3 R420 7.32x31 TM7 polar (charge-charge)
muscarinic toxin 3 F423 7.35x34 TM7 hydrophobic
muscarinic toxin 3 F423 7.35x34 TM7 aromatic (edge-to-face)
muscarinic toxin 3 K424 7.36x35 TM7 hydrophobic
muscarinic toxin 3 F427 7.39x38 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
α2A-adrenoceptor
TM2
2x63 2.64x63 N108
2x64 2.65x64 E109
TM3
3x28 3.28x28 Y124
3x29 3.29x29 L125
3x32 3.32x32 D128
3x33 3.33x33 V129
ECL2
45x50 45.50x50 C203
45x51 45.51x51 E204
45x52 45.52x52 I205
TM5
5x38 5.37x38 W210
5x41 5.40x41 I213
5x43 5.42x43 S215
TM6
6x51 6.51x51 F405
6x55 6.55x55 Y409
6x58 6.58x58 T412
6x59 6.59x59 A413
6x60 6.60x60 V414
6x61 6.61x61 G415
TM7
7x31 7.32x31 R420
7x34 7.35x34 F423
7x35 7.36x35 K424
7x38 7.39x38 F427