PDB
5MZJ
Resolution
2.0 Å
Released
July 26, 2017
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
theophylline
Function
Antagonist
Reference
10.1016/j.str.2017.06.012

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Ligand Amino Acid Generic Number Segment Interaction Type
theophylline F168 45.52x52 ECL2 aromatic (face-to-face)
theophylline L249 6.51x51 TM6 hydrophobic
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline N253 6.55x55 TM6 polar (hydrogen bond)
theophylline I274 7.39x38 TM7 hydrophobic
theophylline 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
ECL2
45x52 45.52x52 F168
TM6
6x51 6.51x51 L249
6x55 6.55x55 N253
TM7
7x38 7.39x38 I274