PDB
9L8L
Resolution
3.2 Å
Released
Dec. 31, 2025
Receptor
β2
Class
A
Species
Homo sapiens
Ligands
CHEMBL1615159
ATAZANAVIR
Function
Agonist
Ago-PAM
Reference
10.1016/J.CELL.2025.12.023
CHEMBL1615159 ATAZANAVIR

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL1615159 W109 3.28x28 TM3 Van der Waals
CHEMBL1615159 W109 3.28x28 TM3 hydrophobic
CHEMBL1615159 D113 3.32x32 TM3 Van der Waals
CHEMBL1615159 V117 3.36x36 TM3 hydrophobic
CHEMBL1615159 F193 45.52x52 ECL2 hydrophobic
CHEMBL1615159 F193 45.52x52 ECL2 Van der Waals
CHEMBL1615159 Y199 5.38x39 TM5 Van der Waals
CHEMBL1615159 A200 5.39x40 TM5 Van der Waals
CHEMBL1615159 S203 5.42x43 TM5 polar (hydrogen bond with backbone)
CHEMBL1615159 S203 5.42x43 TM5 polar (hydrogen bond)
CHEMBL1615159 S203 5.42x43 TM5 polar (hydrogen bond)
CHEMBL1615159 S207 5.46x461 TM5 Van der Waals
ATAZANAVIR R273 6.35x35 TM6 Van der Waals
ATAZANAVIR S276 6.38x38 TM6 Van der Waals
ATAZANAVIR V277 6.39x39 TM6 hydrophobic
ATAZANAVIR V277 6.39x39 TM6 Van der Waals
ATAZANAVIR G280 6.42x42 TM6 Van der Waals
ATAZANAVIR T281 6.43x43 TM6 Van der Waals
ATAZANAVIR L284 6.46x46 TM6 hydrophobic
ATAZANAVIR L284 6.46x46 TM6 Van der Waals
CHEMBL1615159 F289 6.51x51 TM6 hydrophobic
CHEMBL1615159 F290 6.52x52 TM6 aromatic (edge-to-face)
CHEMBL1615159 N293 6.55x55 TM6 Van der Waals
CHEMBL1615159 Y308 7.35x34 TM7 Van der Waals
CHEMBL1615159 Y308 7.35x34 TM7 hydrophobic
CHEMBL1615159 I309 7.36x35 TM7 hydrophobic
CHEMBL1615159 I309 7.36x35 TM7 Van der Waals
CHEMBL1615159 N312 7.39x38 TM7 polar (hydrogen bond)
ATAZANAVIR F321 7.48x48 TM7 hydrophobic
ATAZANAVIR F321 7.48x48 TM7 Van der Waals
ATAZANAVIR L324 7.51x51 TM7 Van der Waals
ATAZANAVIR I325 7.52x52 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
β2-adrenoceptor
TM3
3x28 3.28x28 W109
3x32 3.32x32 D113
3x36 3.36x36 V117
ECL2
45x52 45.52x52 F193
TM5
5x39 5.38x39 Y199
5x40 5.39x40 A200
5x43 5.42x43 S203
5x461 5.46x461 S207
TM6
6x35 6.35x35 K273
6x38 6.38x38 G276
6x39 6.39x39 I277
6x42 6.42x42 G280
6x43 6.43x43 T281
6x46 6.46x46 L284
6x51 6.51x51 F289
6x52 6.52x52 F290
6x55 6.55x55 N293
TM7
7x34 7.35x34 Y308
7x35 7.36x35 I309
7x38 7.39x38 N312
7x48 7.48x48 F321
7x51 7.51x51 L324
7x52 7.52x52 I325