PDB
8GNG
Resolution
3.2 Å
Released
March 22, 2023
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
istradefylline
Function
Antagonist
Reference
10.1124/MOLPHARM.122.000633

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Ligand Amino Acid Generic Number Segment Interaction Type
istradefylline A63 2.61x60 TM2 hydrophobic
istradefylline V84 3.32x32 TM3 hydrophobic
istradefylline F168 45.52x52 ECL2 aromatic (face-to-face)
istradefylline L249 6.51x51 TM6 hydrophobic
istradefylline N253 6.55x55 TM6 Van der Waals
istradefylline N253 6.55x55 TM6 polar (hydrogen bond)
istradefylline L267 7.32x31 TM7 Van der Waals
istradefylline L267 7.32x31 TM7 hydrophobic
istradefylline M270 7.35x34 TM7 hydrophobic
istradefylline M270 7.35x34 TM7 Van der Waals
istradefylline I274 7.39x38 TM7 Van der Waals
istradefylline I274 7.39x38 TM7 hydrophobic

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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
2x60 2.61x60 A63
TM3
3x32 3.32x32 V84
ECL2
45x52 45.52x52 F168
TM6
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x31 7.32x31 L267
7x34 7.35x34 M270
7x38 7.39x38 I274