PDB
8GNE
Resolution
2.3 Å
Released
March 22, 2023
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
KW-6356
Function
Inverse agonist
Reference
10.1124/MOLPHARM.122.000633

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Ligand Amino Acid Generic Number Segment Interaction Type
KW-6356 I66 2.64x63 TM2 hydrophobic
KW-6356 A81 3.29x29 TM3 hydrophobic
KW-6356 F168 45.52x52 ECL2 aromatic (face-to-face)
KW-6356 M177 5.38x40 TM5 hydrophobic
KW-6356 W246 6.48x48 TM6 hydrophobic
KW-6356 L249 6.51x51 TM6 hydrophobic
KW-6356 H250 6.52x52 TM6 aromatic (face-to-edge)
KW-6356 N253 6.55x55 TM6 polar (hydrogen bond)
KW-6356 N253 6.55x55 TM6 polar (hydrogen bond)
KW-6356 T256 6.58x58 TM6 polar (hydrogen bond)
KW-6356 T256 6.58x58 TM6 Van der Waals
KW-6356 H264 ECL3 Van der Waals
KW-6356 M270 7.35x34 TM7 hydrophobic
KW-6356 M270 7.35x34 TM7 Van der Waals
KW-6356 I274 7.39x38 TM7 Van der Waals
KW-6356 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
2x63 2.64x63 I66
TM3
3x29 3.29x29 A81
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
6x58 6.58x58 T256
TM7
7x34 7.35x34 M270
7x38 7.39x38 I274