PDB
8PWN
Resolution
2.4 Å
Released
Oct. 25, 2023
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
Function
theophylline
Antagonist
Reference
10.1038/S42004-023-01014-0

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Ligand Amino Acid Generic Number Segment Interaction Type
theophylline V109 3.32x32 TM3 Van der Waals
theophylline L110 3.33x33 TM3 Van der Waals
theophylline F193 45.52x52 ECL2 aromatic (face-to-face)
theophylline E194 ECL2 Van der Waals
theophylline M202 5.38x40 TM5 Van der Waals
theophylline W367 6.48x48 TM6 Van der Waals
theophylline L370 6.51x51 TM6 Van der Waals
theophylline N374 6.55x55 TM6 polar (hydrogen bond)
theophylline N374 6.55x55 TM6 polar (hydrogen bond)
theophylline M391 7.35x34 TM7 Van der Waals
theophylline I395 7.39x38 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
ICL1 S N L Q ICL1ECL1 F C A ECL1ICL2 P L R Y N G L V ICL2ECL2 W N N C G Q P K E G K N H S Q G C G E G Q V A C L F E D V V ECL2ICL3 Q P L P G ICL3ECL3 P D C S H A ECL3C-term K A A G T S A R V L A A H G S D G E Q V S L R L N G H P P G V W A N G S A P H P E R R P N G Y A L G L V S G G S A Q E S Q G N T G L P D V E L L S H E L K G V C P E P P G L D D P L A Q D G A G V S C-term M P I M G S S V Y I T V E L A I A V L A I L G N V L V C W A V W L N N V T N Y F V V S L A A A D I A V G V L A I P F A I T I S T G A C H G C L F I A C F V L V L T Q S S I F S L L A I A I D R Y I A I R I T G T R A K G I I A I C W V L S F A I G L T P M L G P M N Y M V Y F N F F A C V L V P L L L M L G V Y L R I F L A A R R Q L K Q M E S E R A R S T L Q K E V H A A K S L A I I V G L F A L C W L P L H I I N C F T F F C P L W L M Y L A I V L S H T N S V V N P F I Y A Y R I R E F R K H V L P F F R Q T I I R S R Q Q E
Helix box plot — Download: PNG | SVG V N G L I A L V A I A L E V T I Y V S S 1 V S L A A A D I A V G L V A I P F A I T I 2 A L L S F I S S Q T L V L V F C A I F L 3 A K G I I A I C W V L S F A I G L T P M 4 Y V G L M L L L P V L V C A F F N F Y V M Y 5 A I I V G L F A L C W L P L H I I N C F 6 F P N V V S N T H S L V I A L Y M L W 7

GPCRdb(A)
GPCRdb(A)
A2A receptor
TM3
3x32 3.32x32 V84
3x33 3.33x33 L85
ECL2
45x52 45.52x52 F168
TM5
5x40 5.38x40 M177
TM6
6x48 6.48x48 W246
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x34 7.35x34 M270
7x38 7.39x38 I274