PDB
8RWX
Resolution
3.1 Å
Released
Jan. 8, 2025
Receptor
A2A
Class
A
Species
Homo sapiens
Ligands
StilSwitch3
Na+
Function
Antagonist
NAM
Reference
—
StilSwitch3 Na+

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Ligand Amino Acid Generic Number Segment Interaction Type
StilSwitch3 Y9 1.35x35 TM1 hydrophobic
Na+ D52 2.50x50 TM2 polar (charge-charge)
StilSwitch3 S67 2.65x64 TM2 polar (hydrogen bond)
StilSwitch3 S67 2.65x64 TM2 Van der Waals
StilSwitch3 V84 3.32x32 TM3 Van der Waals
StilSwitch3 L85 3.33x33 TM3 Van der Waals
Na+ S91 3.39x39 TM3 Van der Waals
StilSwitch3 F168 45.52x52 ECL2 aromatic (face-to-face)
StilSwitch3 F168 45.52x52 ECL2 Van der Waals
StilSwitch3 L249 6.51x51 TM6 Van der Waals
StilSwitch3 L267 7.32x31 TM7 hydrophobic
StilSwitch3 L267 7.32x31 TM7 Van der Waals
StilSwitch3 M270 7.35x34 TM7 hydrophobic
StilSwitch3 M270 7.35x34 TM7 Van der Waals
StilSwitch3 Y271 7.36x35 TM7 polar (hydrogen bond)
StilSwitch3 Y271 7.36x35 TM7 Van der Waals
StilSwitch3 I274 7.39x38 TM7 hydrophobic
StilSwitch3 I274 7.39x38 TM7 Van der Waals
Na+ N280 7.45x45 TM7 polar (charge-assisted hydrogen bond)
Na+ S281 7.46x46 TM7 Van der Waals

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Na+

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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
TM1
1x35 1.35x35 Y9
TM2
2x50 2.50x50 D52
2x64 2.65x64 S67
TM3
3x32 3.32x32 V84
3x33 3.33x33 L85
3x39 3.39x39 S91
ECL2
45x52 45.52x52 F168
TM6
6x51 6.51x51 L249
TM7
7x31 7.32x31 L267
7x34 7.35x34 M270
7x35 7.36x35 Y271
7x38 7.39x38 I274
7x45 7.45x45 N280
7x46 7.46x46 S281