PDB
7ARO
Resolution
3.1 Å
Released
April 7, 2021
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
CHEMBL124345
Function
Agonist (partial)
Reference
10.1021/acs.jmedchem.0c01856

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL124345 V84 3.32x32 TM3 hydrophobic
CHEMBL124345 F168 45.52x52 ECL2 aromatic (face-to-face)
CHEMBL124345 E169 ECL2 polar (charge-assisted hydrogen bond)
CHEMBL124345 M177 5.38x40 TM5 hydrophobic
CHEMBL124345 M177 5.38x40 TM5 Van der Waals
CHEMBL124345 W246 6.48x48 TM6 hydrophobic
CHEMBL124345 W246 6.48x48 TM6 Van der Waals
CHEMBL124345 L249 6.51x51 TM6 Van der Waals
CHEMBL124345 L249 6.51x51 TM6 hydrophobic
CHEMBL124345 N253 6.55x55 TM6 polar (hydrogen bond)
CHEMBL124345 L267 7.32x31 TM7 Van der Waals
CHEMBL124345 L267 7.32x31 TM7 hydrophobic
CHEMBL124345 M270 7.35x34 TM7 hydrophobic
CHEMBL124345 M270 7.35x34 TM7 Van der Waals
CHEMBL124345 Y271 7.36x35 TM7 hydrophobic
CHEMBL124345 Y271 7.36x35 TM7 Van der Waals
CHEMBL124345 I274 7.39x38 TM7 hydrophobic
CHEMBL124345 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
TM3
3x32 3.32x32 V84
ECL2
45x52 45.52x52 F168
TM5
5x40 5.38x40 M177
TM6
6x48 6.48x48 W246
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x31 7.32x31 L267
7x34 7.35x34 M270
7x35 7.36x35 Y271
7x38 7.39x38 I274