PDB
5UVI
Resolution
3.2 Å
Released
May 24, 2017
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
ZM-241385
Function
Antagonist
Reference
10.1107/S205225251700570X

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Ligand Amino Acid Generic Number Segment Interaction Type
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 hydrophobic
ZM-241385 M177 5.38x40 TM5 Van der Waals
ZM-241385 W246 6.48x48 TM6 hydrophobic
ZM-241385 W246 6.48x48 TM6 Van der Waals
ZM-241385 L249 6.51x51 TM6 hydrophobic
ZM-241385 L249 6.51x51 TM6 Van der Waals
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 L267 7.32x31 TM7 Van der Waals
ZM-241385 L267 7.32x31 TM7 hydrophobic
ZM-241385 M270 7.35x34 TM7 Van der Waals
ZM-241385 M270 7.35x34 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
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