PDB
9H2X
Resolution
1.8 Å
Released
June 18, 2025
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
Compound 7
Function
Inverse agonist
Reference
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Ligand Amino Acid Generic Number Segment Interaction Type
Compound 7 A63 2.61x60 TM2 hydrophobic
Compound 7 I66 2.64x63 TM2 hydrophobic
Compound 7 L85 3.33x33 TM3 hydrophobic
Compound 7 F168 45.52x52 ECL2 aromatic (face-to-face)
Compound 7 E169 ECL2 polar (charge-assisted hydrogen bond)
Compound 7 M177 5.38x40 TM5 hydrophobic
Compound 7 M177 5.38x40 TM5 Van der Waals
Compound 7 W246 6.48x48 TM6 hydrophobic
Compound 7 W246 6.48x48 TM6 Van der Waals
Compound 7 L249 6.51x51 TM6 hydrophobic
Compound 7 L249 6.51x51 TM6 Van der Waals
Compound 7 H250 6.52x52 TM6 aromatic (face-to-edge)
Compound 7 H250 6.52x52 TM6 Van der Waals
Compound 7 N253 6.55x55 TM6 polar (hydrogen bond)
Compound 7 N253 6.55x55 TM6 polar (hydrogen bond)
Compound 7 M270 7.35x34 TM7 Van der Waals
Compound 7 Y271 7.36x35 TM7 aromatic (edge-to-face)
Compound 7 Y271 7.36x35 TM7 Van der Waals
Compound 7 I274 7.39x38 TM7 hydrophobic
Compound 7 I274 7.39x38 TM7 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
2x60 2.61x60 A63
2x63 2.64x63 I66
TM3
3x33 3.33x33 L85
ECL2
45x52 45.52x52 F168
TM5
5x40 5.38x40 M177
TM6
6x48 6.48x48 W246
6x51 6.51x51 L249
6x52 6.52x52 H250
6x55 6.55x55 N253
TM7
7x34 7.35x34 M270
7x35 7.36x35 Y271
7x38 7.39x38 I274