PDB
7INA
Resolution
2.2 Å
Released
May 20, 2026
Receptor
A2A
Class
A
Species
Homo sapiens
Ligands
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide
theophylline
Function
Unknown
Antagonist
Reference
—
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide theophylline

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Ligand Amino Acid Generic Number Segment Interaction Type
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide T41 2.39x39 TM2 polar (hydrogen bond)
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide V45 2.43x43 TM2 Van der Waals
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide R102 3.50x50 TM3 Van der Waals
theophylline F168 45.52x52 ECL2 aromatic (face-to-face)
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide A231 6.33x33 TM6 hydrophobic
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide A231 6.33x33 TM6 Van der Waals
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide S234 6.36x36 TM6 Van der Waals
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide A235 6.37x37 TM6 Van der Waals
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide A235 6.37x37 TM6 polar (hydrogen bond with backbone)
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
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide Y288 7.53x53 TM7 Van der Waals
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide I292 8.47x47 H8 hydrophobic
2-{[5-(trifluoromethyl)pyridin-2-yl]sulfanyl}acetamide 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
2x43 2.43x43 V45
TM3
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