PDB
9L84
Resolution
3.2 Å
Released
Dec. 31, 2025
Receptor
β1
Class
A
Species
Homo sapiens
Ligands
(-)-adrenaline
ATAZANAVIR
Function
Agonist
Ago-PAM
Reference
10.1016/J.CELL.2025.12.023
(-)-adrenaline ATAZANAVIR

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Ligand Amino Acid Generic Number Segment Interaction Type
(-)-adrenaline D138 3.32x32 TM3 polar (charge-assisted hydrogen bond)
(-)-adrenaline V139 3.33x33 TM3 hydrophobic
(-)-adrenaline V139 3.33x33 TM3 Van der Waals
(-)-adrenaline V142 3.36x36 TM3 hydrophobic
(-)-adrenaline S228 5.42x43 TM5 polar (hydrogen bond)
(-)-adrenaline S228 5.42x43 TM5 Van der Waals
(-)-adrenaline S232 5.46x461 TM5 Van der Waals
ATAZANAVIR I328 6.39x39 TM6 hydrophobic
(-)-adrenaline F340 6.51x51 TM6 aromatic (edge-to-face)
(-)-adrenaline F341 6.52x52 TM6 aromatic (edge-to-face)
(-)-adrenaline N344 6.55x55 TM6 Van der Waals
(-)-adrenaline N344 6.55x55 TM6 polar (hydrogen bond)
(-)-adrenaline N363 7.39x38 TM7 polar (hydrogen bond)
(-)-adrenaline Y367 7.43x42 TM7 Van der Waals
ATAZANAVIR F372 7.48x48 TM7 hydrophobic
ATAZANAVIR I375 7.51x51 TM7 Van der Waals
ATAZANAVIR I375 7.51x51 TM7 polar (hydrogen bond with backbone)
ATAZANAVIR C378 7.54x54 TM7 polar (hydrogen bond with backbone)
ATAZANAVIR C378 7.54x54 TM7 Van der Waals
ATAZANAVIR R379 7.55x55 TM7 polar (charge-assisted hydrogen bond)
ATAZANAVIR F387 8.54x54 H8 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
β1-adrenoceptor
TM3
3x32 3.32x32 D138
3x33 3.33x33 V139
3x36 3.36x36 V142
TM5
5x43 5.42x43 S228
5x461 5.46x461 S232
TM6
6x39 6.39x39 I328
6x51 6.51x51 F340
6x52 6.52x52 F341
6x55 6.55x55 N344
TM7
7x38 7.39x38 N363
7x42 7.43x42 Y367
7x48 7.48x48 F372
7x51 7.51x51 I375
7x54 7.54x54 C378
7x55 7.55x55 R379
H8
8x54 8.54x54 F387