PDB
7IPF
Resolution
1.9 Å
Released
May 20, 2026
Receptor
A2A
Class
A
Species
Homo sapiens
Ligands
FU428-16
theophylline
Function
Unknown
Antagonist
Reference
—
FU428-16 theophylline

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Ligand Amino Acid Generic Number Segment Interaction Type
FU428-16 N36 12.49x49 ICL1 polar (hydrogen bond with backbone)
FU428-16 N36 12.49x49 ICL1 Van der Waals
FU428-16 N39 2.37x37 TM2 Van der Waals
FU428-16 T41 2.39x39 TM2 Van der Waals
FU428-16 N42 2.40x40 TM2 Van der Waals
FU428-16 N42 2.40x40 TM2 polar (hydrogen bond)
FU428-16 V45 2.43x43 TM2 hydrophobic
theophylline F168 45.52x52 ECL2 aromatic (face-to-face)
FU428-16 A231 6.33x33 TM6 hydrophobic
FU428-16 A231 6.33x33 TM6 Van der Waals
FU428-16 A235 6.37x37 TM6 Van der Waals
FU428-16 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 Van der Waals
theophylline I274 7.39x38 TM7 hydrophobic
FU428-16 Y288 7.53x53 TM7 Van der Waals
FU428-16 I292 8.47x47 H8 hydrophobic
FU428-16 I292 8.47x47 H8 Van der Waals
FU428-16 E294 8.49x49 H8 polar (charge-assisted hydrogen bond)

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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
ICL1
12x49 12.49x49 N36
TM2
2x37 2.37x37 N39
2x39 2.39x39 T41
2x40 2.40x40 N42
2x43 2.43x43 V45
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
7x53 7.53x53 Y288
H8
8x47 8.47x47 I292
8x49 8.49x49 E294