PDB
8RLN
Resolution
2.4 Å
Released
June 19, 2024
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
CHEMBL122622
Function
Agonist (partial)
Reference
—

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file
Download list in excel
Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL122622 Y9 1.35x35 TM1 polar (hydrogen bond)
CHEMBL122622 Y9 1.35x35 TM1 aromatic (face-to-edge)
CHEMBL122622 A63 2.61x60 TM2 polar (hydrogen bond)
CHEMBL122622 I66 2.64x63 TM2 polar (hydrogen bond with backbone)
CHEMBL122622 I66 2.64x63 TM2 polar (hydrogen bond)
CHEMBL122622 S67 2.65x64 TM2 polar (hydrogen bond)
CHEMBL122622 S67 2.65x64 TM2 polar (hydrogen bond with backbone)
CHEMBL122622 V84 3.32x32 TM3 polar (hydrogen bond)
CHEMBL122622 L85 3.33x33 TM3 polar (hydrogen bond)
CHEMBL122622 T88 3.36x36 TM3 Van der Waals
CHEMBL122622 F168 45.52x52 ECL2 aromatic (face-to-face)
CHEMBL122622 F168 45.52x52 ECL2 polar (hydrogen bond)
CHEMBL122622 E169 ECL2 polar (charge-assisted hydrogen bond)
CHEMBL122622 M177 5.38x40 TM5 polar (hydrogen bond)
CHEMBL122622 W246 6.48x48 TM6 aromatic (face-to-edge)
CHEMBL122622 W246 6.48x48 TM6 polar (hydrogen bond)
CHEMBL122622 L249 6.51x51 TM6 polar (hydrogen bond)
CHEMBL122622 N253 6.55x55 TM6 polar (hydrogen bond)
CHEMBL122622 L267 7.32x31 TM7 Van der Waals
CHEMBL122622 M270 7.35x34 TM7 Van der Waals
CHEMBL122622 Y271 7.36x35 TM7 aromatic (edge-to-face)
CHEMBL122622 Y271 7.36x35 TM7 Van der Waals
CHEMBL122622 I274 7.39x38 TM7 polar (hydrogen bond)

NGL is a WebGL based 3D viewer powered by MMTF.

Download PDB file

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
TM1
1x35 1.35x35 Y9
TM2
2x60 2.61x60 A63
2x63 2.64x63 I66
2x64 2.65x64 S67
TM3
3x32 3.32x32 V84
3x33 3.33x33 L85
3x36 3.36x36 T88
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