PDB
3REY
Resolution
3.3 Å
Released
Sept. 7, 2011
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
xanthine amine congener
Function
Inverse agonist
Reference
10.1016/J.STR.2011.06.014

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Ligand Amino Acid Generic Number Segment Interaction Type
xanthine amine congener A81 3.29x29 TM3 hydrophobic
xanthine amine congener F168 45.52x52 ECL2 hydrophobic
xanthine amine congener M177 5.38x40 TM5 hydrophobic
xanthine amine congener L249 6.51x51 TM6 hydrophobic
xanthine amine congener N253 6.55x55 TM6 Van der Waals
xanthine amine congener N253 6.55x55 TM6 polar (hydrogen bond)
xanthine amine congener L267 7.32x31 TM7 Van der Waals
xanthine amine congener M270 7.35x34 TM7 hydrophobic
xanthine amine congener M270 7.35x34 TM7 Van der Waals
xanthine amine congener Y271 7.36x35 TM7 hydrophobic
xanthine amine congener Y271 7.36x35 TM7 Van der Waals
xanthine amine congener I274 7.39x38 TM7 Van der Waals
xanthine amine congener 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
TM3
3x29 3.29x29 A81
ECL2
45x52 45.52x52 F168
TM5
5x40 5.38x40 M177
TM6
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