PDB
Resolution
2.1 Å
Released
Sept. 16, 2020
Receptor
Class
A
Species
Homo sapiens
Ligand
Chromone 5d
Function
Antagonist

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Ligand Amino Acid Generic Number Segment Interaction Type
Chromone 5d Y9 1.35x35 TM1 hydrophobic
Chromone 5d A63 2.61x60 TM2 hydrophobic
Chromone 5d I66 2.64x63 TM2 hydrophobic
Chromone 5d F168 45.52x52 ECL2 polar (hydrogen bond with backbone)
Chromone 5d F168 45.52x52 ECL2 aromatic (face-to-face)
Chromone 5d F168 45.52x52 ECL2 Van der Waals
Chromone 5d M177 5.38x40 TM5 Van der Waals
Chromone 5d M177 5.38x40 TM5 hydrophobic
Chromone 5d L249 6.51x51 TM6 hydrophobic
Chromone 5d L249 6.51x51 TM6 Van der Waals
Chromone 5d H250 6.52x52 TM6 Van der Waals
Chromone 5d N253 6.55x55 TM6 Van der Waals
Chromone 5d Y271 7.36x35 TM7 Van der Waals
Chromone 5d I274 7.39x38 TM7 hydrophobic
Chromone 5d 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
TM1
1x35 1.35x35 Y9
TM2
2x60 2.61x60 A63
2x63 2.64x63 I66
ECL2
45x52 45.52x52 F168
TM5
5x40 5.38x40 M177
TM6
6x51 6.51x51 L249
6x52 6.52x52 H250
6x55 6.55x55 N253
TM7
7x35 7.36x35 Y271
7x38 7.39x38 I274