PDB
7INO
Resolution
2.1 Å
Released
May 20, 2026
Receptor
A2A
Class
A
Species
Homo sapiens
Ligands
F223
theophylline
Function
Unknown
Antagonist
Reference
—
F223 theophylline

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Ligand Amino Acid Generic Number Segment Interaction Type
F223 T41 2.39x39 TM2 Van der Waals
F223 T41 2.39x39 TM2 polar (hydrogen bond)
F223 N42 2.40x40 TM2 polar (hydrogen bond)
F223 V45 2.43x43 TM2 Van der Waals
F223 I98 3.46x46 TM3 Van der Waals
F223 R102 3.50x50 TM3 Van der Waals
theophylline F168 45.52x52 ECL2 aromatic (face-to-face)
F223 A231 6.33x33 TM6 hydrophobic
F223 A231 6.33x33 TM6 Van der Waals
F223 S234 6.36x36 TM6 Van der Waals
F223 A235 6.37x37 TM6 polar (hydrogen bond with backbone)
F223 A235 6.37x37 TM6 Van der Waals
theophylline L249 6.51x51 TM6 hydrophobic
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline I274 7.39x38 TM7 Van der Waals
theophylline I274 7.39x38 TM7 hydrophobic
F223 Y288 7.53x53 TM7 Van der Waals
F223 I292 8.47x47 H8 hydrophobic
F223 I292 8.47x47 H8 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
TM2
2x39 2.39x39 T41
2x40 2.40x40 N42
2x43 2.43x43 V45
TM3
3x46 3.46x46 I98
3x50 3.50x50 R102
ECL2
45x52 45.52x52 F168
TM6
6x33 6.33x33 A231
6x36 6.36x36 S234
6x37 6.37x37 L235
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x38 7.39x38 I274
7x53 7.53x53 Y288
H8
8x47 8.47x47 I292