PDB
7IOS
Resolution
2.4 Å
Released
May 20, 2026
Receptor
A2A
Class
A
Species
Homo sapiens
Ligands
CHEMBL1524252
theophylline
Function
Unknown
Antagonist
Reference
—
CHEMBL1524252 theophylline

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL1524252 N39 2.37x37 TM2 polar (hydrogen bond)
CHEMBL1524252 N39 2.37x37 TM2 Van der Waals
CHEMBL1524252 T41 2.39x39 TM2 Van der Waals
CHEMBL1524252 N42 2.40x40 TM2 polar (hydrogen bond)
CHEMBL1524252 N42 2.40x40 TM2 polar (hydrogen bond)
CHEMBL1524252 V45 2.43x43 TM2 Van der Waals
CHEMBL1524252 I98 3.46x46 TM3 Van der Waals
theophylline F168 45.52x52 ECL2 aromatic (face-to-face)
CHEMBL1524252 A231 6.33x33 TM6 hydrophobic
CHEMBL1524252 A231 6.33x33 TM6 Van der Waals
CHEMBL1524252 A235 6.37x37 TM6 Van der Waals
CHEMBL1524252 A235 6.37x37 TM6 hydrophobic
theophylline L249 6.51x51 TM6 hydrophobic
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline M270 7.35x34 TM7 Van der Waals
theophylline I274 7.39x38 TM7 hydrophobic
theophylline I274 7.39x38 TM7 Van der Waals
CHEMBL1524252 I292 8.47x47 H8 hydrophobic
CHEMBL1524252 I292 8.47x47 H8 Van der Waals
CHEMBL1524252 E294 8.49x49 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
2x37 2.37x37 N39
2x39 2.39x39 T41
2x40 2.40x40 N42
2x43 2.43x43 V45
TM3
3x46 3.46x46 I98
ECL2
45x52 45.52x52 F168
TM6
6x33 6.33x33 A231
6x37 6.37x37 L235
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x34 7.35x34 M270
7x38 7.39x38 I274
H8
8x47 8.47x47 I292
8x49 8.49x49 E294