PDB
4EIY
Resolution
1.8 Å
Released
July 25, 2012
Receptor
A2A
Class
A
Species
Homo sapiens
Ligands
Na+
ZM-241385
Function
NAM
Antagonist
Reference
10.1126/SCIENCE.1219218
Na+ ZM-241385

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Ligand Amino Acid Generic Number Segment Interaction Type
Na+ D52 2.50x50 TM2 polar (charge-charge)
Na+ S91 3.39x39 TM3 polar (charge-assisted hydrogen bond)
ZM-241385 F168 45.52x52 ECL2 aromatic (face-to-face)
ZM-241385 E169 ECL2 polar (charge-assisted hydrogen bond)
ZM-241385 M177 5.38x40 TM5 Van der Waals
ZM-241385 M177 5.38x40 TM5 hydrophobic
ZM-241385 W246 6.48x48 TM6 hydrophobic
ZM-241385 W246 6.48x48 TM6 Van der Waals
ZM-241385 L249 6.51x51 TM6 Van der Waals
ZM-241385 L249 6.51x51 TM6 hydrophobic
ZM-241385 H250 6.52x52 TM6 Van der Waals
ZM-241385 H250 6.52x52 TM6 aromatic (face-to-edge)
ZM-241385 N253 6.55x55 TM6 polar (hydrogen bond)
ZM-241385 N253 6.55x55 TM6 polar (hydrogen bond)
ZM-241385 H264 ECL3 aromatic (face-to-edge)
ZM-241385 H264 ECL3 Van der Waals
ZM-241385 L267 7.32x31 TM7 Van der Waals
ZM-241385 L267 7.32x31 TM7 hydrophobic
ZM-241385 M270 7.35x34 TM7 hydrophobic
ZM-241385 M270 7.35x34 TM7 Van der Waals
ZM-241385 Y271 7.36x35 TM7 hydrophobic
ZM-241385 Y271 7.36x35 TM7 Van der Waals
ZM-241385 I274 7.39x38 TM7 Van der Waals
Na+ N280 7.45x45 TM7 Van der Waals

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
TM2
2x50 2.50x50 D52
TM3
3x39 3.39x39 S91
ECL2
45x52 45.52x52 F168
TM5
5x40 5.38x40 M177
TM6
6x48 6.48x48 W246
6x51 6.51x51 L249
6x52 6.52x52 H250
6x55 6.55x55 N253
TM7
7x31 7.32x31 L267
7x34 7.35x34 M270
7x35 7.36x35 Y271
7x38 7.39x38 I274
7x45 7.45x45 N280