PDB
8WDT
Resolution
3.3 Å
Released
Jan. 17, 2024
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
trans-photoNECA (blue)
Function
Agonist
Reference
10.1016/J.BBRC.2023.149393

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Ligand Amino Acid Generic Number Segment Interaction Type
trans-photoNECA (blue) L85 3.33x33 TM3 hydrophobic
trans-photoNECA (blue) T88 3.36x36 TM3 polar (hydrogen bond)
trans-photoNECA (blue) T88 3.36x36 TM3 Van der Waals
trans-photoNECA (blue) Q89 3.37x37 TM3 Van der Waals
trans-photoNECA (blue) L167 45.51x51 ECL2 hydrophobic
trans-photoNECA (blue) L167 45.51x51 ECL2 Van der Waals
trans-photoNECA (blue) F168 45.52x52 ECL2 Van der Waals
trans-photoNECA (blue) F168 45.52x52 ECL2 aromatic (face-to-face)
trans-photoNECA (blue) E169 ECL2 Van der Waals
trans-photoNECA (blue) W246 6.48x48 TM6 Van der Waals
trans-photoNECA (blue) W246 6.48x48 TM6 hydrophobic
trans-photoNECA (blue) L249 6.51x51 TM6 Van der Waals
trans-photoNECA (blue) L249 6.51x51 TM6 hydrophobic
trans-photoNECA (blue) H250 6.52x52 TM6 Van der Waals
trans-photoNECA (blue) N253 6.55x55 TM6 polar (hydrogen bond)
trans-photoNECA (blue) N253 6.55x55 TM6 polar (hydrogen bond)
trans-photoNECA (blue) L267 7.32x31 TM7 Van der Waals
trans-photoNECA (blue) L267 7.32x31 TM7 hydrophobic
trans-photoNECA (blue) M270 7.35x34 TM7 Van der Waals
trans-photoNECA (blue) Y271 7.36x35 TM7 aromatic (edge-to-face)
trans-photoNECA (blue) Y271 7.36x35 TM7 Van der Waals
trans-photoNECA (blue) I274 7.39x38 TM7 hydrophobic
trans-photoNECA (blue) I274 7.39x38 TM7 Van der Waals
trans-photoNECA (blue) S277 7.42x41 TM7 polar (hydrogen bond)
trans-photoNECA (blue) S277 7.42x41 TM7 Van der Waals
trans-photoNECA (blue) H278 7.43x42 TM7 polar (hydrogen bond)
trans-photoNECA (blue) H278 7.43x42 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
TM3
3x33 3.33x33 L85
3x36 3.36x36 T88
3x37 3.37x37 Q89
ECL2
45x51 45.51x51 L167
45x52 45.52x52 F168
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
7x41 7.42x41 S277
7x42 7.43x42 H278