PDB
5UIG
Resolution
3.5 Å
Released
Feb. 8, 2017
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
Cmpd-1
Function
Antagonist
Reference
10.1073/PNAS.1621423114

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Ligand Amino Acid Generic Number Segment Interaction Type
Cmpd-1 A63 2.61x60 TM2 hydrophobic
Cmpd-1 I66 2.64x63 TM2 hydrophobic
Cmpd-1 V84 3.32x32 TM3 hydrophobic
Cmpd-1 L85 3.33x33 TM3 hydrophobic
Cmpd-1 F168 45.52x52 ECL2 hydrophobic
Cmpd-1 M177 5.38x40 TM5 hydrophobic
Cmpd-1 W246 6.48x48 TM6 hydrophobic
Cmpd-1 L249 6.51x51 TM6 hydrophobic
Cmpd-1 H250 6.52x52 TM6 aromatic (face-to-edge)
Cmpd-1 M270 7.35x34 TM7 hydrophobic
Cmpd-1 Y271 7.36x35 TM7 hydrophobic
Cmpd-1 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
TM2
2x60 2.61x60 A63
2x63 2.64x63 I66
TM3
3x32 3.32x32 V84
3x33 3.33x33 L85
ECL2
45x52 45.52x52 F168
TM5
5x40 5.38x40 M177
TM6
6x48 6.48x48 W246
6x51 6.51x51 L249
6x52 6.52x52 H250
TM7
7x34 7.35x34 M270
7x35 7.36x35 Y271
7x38 7.39x38 I274