PDB
3RFM
Resolution
3.6 Å
Released
Sept. 7, 2011
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
caffeine
Function
Inverse agonist
Reference
10.1016/J.STR.2011.06.014

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Ligand Amino Acid Generic Number Segment Interaction Type
caffeine F168 45.52x52 ECL2 hydrophobic
caffeine L249 6.51x51 TM6 hydrophobic
caffeine N253 6.55x55 TM6 polar (hydrogen bond)
caffeine N253 6.55x55 TM6 Van der Waals
caffeine M270 7.35x34 TM7 hydrophobic
caffeine M270 7.35x34 TM7 Van der Waals
caffeine I274 7.39x38 TM7 Van der Waals
caffeine 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
ECL2
45x52 45.52x52 F168
TM6
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x34 7.35x34 M270
7x38 7.39x38 I274