PDB
8S2T
Resolution
3.3 Å
Released
May 21, 2025
Receptor
β1
Class
A
Species
Homo sapiens
Ligand
LEVISOPRENALINE
Function
Agonist
Reference
10.1016/J.STR.2025.07.020

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Ligand Amino Acid Generic Number Segment Interaction Type
LEVISOPRENALINE W134 3.28x28 TM3 hydrophobic
LEVISOPRENALINE D138 3.32x32 TM3 polar (charge-assisted hydrogen bond)
LEVISOPRENALINE V139 3.33x33 TM3 hydrophobic
LEVISOPRENALINE V139 3.33x33 TM3 Van der Waals
LEVISOPRENALINE V142 3.36x36 TM3 Van der Waals
LEVISOPRENALINE V142 3.36x36 TM3 hydrophobic
LEVISOPRENALINE T143 3.37x37 TM3 Van der Waals
LEVISOPRENALINE F218 45.52x52 ECL2 Van der Waals
LEVISOPRENALINE F218 45.52x52 ECL2 hydrophobic
LEVISOPRENALINE S228 5.42x43 TM5 polar (hydrogen bond)
LEVISOPRENALINE S228 5.42x43 TM5 polar (hydrogen bond with backbone)
LEVISOPRENALINE S228 5.42x43 TM5 Van der Waals
LEVISOPRENALINE S232 5.46x461 TM5 polar (hydrogen bond)
LEVISOPRENALINE S232 5.46x461 TM5 Van der Waals
LEVISOPRENALINE W337 6.48x48 TM6 Van der Waals
LEVISOPRENALINE F340 6.51x51 TM6 Van der Waals
LEVISOPRENALINE F340 6.51x51 TM6 aromatic (edge-to-face)
LEVISOPRENALINE F341 6.52x52 TM6 Van der Waals
LEVISOPRENALINE F341 6.52x52 TM6 aromatic (edge-to-face)
LEVISOPRENALINE N344 6.55x55 TM6 polar (hydrogen bond)
LEVISOPRENALINE N344 6.55x55 TM6 Van der Waals
LEVISOPRENALINE N363 7.39x38 TM7 polar (hydrogen bond)
LEVISOPRENALINE N363 7.39x38 TM7 polar (hydrogen bond)
LEVISOPRENALINE Y367 7.43x42 TM7 Van der Waals

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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
3x28 3.28x28 W134
3x32 3.32x32 D138
3x33 3.33x33 V139
3x36 3.36x36 V142
3x37 3.37x37 T143
ECL2
45x52 45.52x52 F218
TM5
5x43 5.42x43 S228
5x461 5.46x461 S232
TM6
6x48 6.48x48 W337
6x51 6.51x51 F340
6x52 6.52x52 F341
6x55 6.55x55 N344
TM7
7x38 7.39x38 N363
7x42 7.43x42 Y367