PDB
7PYR
Resolution
2.6 Å
Released
March 2, 2022
Receptor
A2A
Class
A
Species
Homo sapiens
Ligand
PSB-2115
Function
Antagonist
Reference
10.1002/ANIE.202115545

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Ligand Amino Acid Generic Number Segment Interaction Type
PSB-2115 S67 2.65x64 TM2 polar (hydrogen bond with backbone)
PSB-2115 S67 2.65x64 TM2 Van der Waals
PSB-2115 T68 2.66x65 TM2 Van der Waals
PSB-2115 F168 45.52x52 ECL2 hydrophobic
PSB-2115 F168 45.52x52 ECL2 Van der Waals
PSB-2115 E169 ECL2 polar (charge-assisted hydrogen bond)
PSB-2115 M177 5.38x40 TM5 hydrophobic
PSB-2115 M177 5.38x40 TM5 Van der Waals
PSB-2115 W246 6.48x48 TM6 Van der Waals
PSB-2115 W246 6.48x48 TM6 hydrophobic
PSB-2115 L249 6.51x51 TM6 Van der Waals
PSB-2115 L249 6.51x51 TM6 hydrophobic
PSB-2115 H250 6.52x52 TM6 Van der Waals
PSB-2115 N253 6.55x55 TM6 polar (hydrogen bond)
PSB-2115 N253 6.55x55 TM6 polar (hydrogen bond)
PSB-2115 H264 ECL3 Van der Waals
PSB-2115 P266 7.31x30 TM7 hydrophobic
PSB-2115 L267 7.32x31 TM7 hydrophobic
PSB-2115 L267 7.32x31 TM7 Van der Waals
PSB-2115 M270 7.35x34 TM7 hydrophobic
PSB-2115 M270 7.35x34 TM7 Van der Waals
PSB-2115 Y271 7.36x35 TM7 hydrophobic
PSB-2115 Y271 7.36x35 TM7 Van der Waals
PSB-2115 I274 7.39x38 TM7 Van der Waals
PSB-2115 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
2x64 2.65x64 S67
2x65 2.66x65 T68
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
7x30 7.31x30 P266
7x31 7.32x31 L267
7x34 7.35x34 M270
7x35 7.36x35 Y271
7x38 7.39x38 I274