Structure information

A2A receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

8CU6

SPECIES

Homo sapiens

RESOLUTION

2.800

PREFERRED CHAIN

A

REFERENCE

10.1021/acs.jmedchem.2c00462

PUBLICATION DATE

Aug. 31, 2022

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
LJ-4517 I66 2.64x63 TM2 hydrophobic
LJ-4517 V84 3.32x32 TM3 hydrophobic
LJ-4517 L85 3.33x33 TM3 hydrophobic
LJ-4517 F168 45.52x52 ECL2 aromatic (face-to-face)
LJ-4517 E169 ECL2 polar (charge-assisted hydrogen bond)
LJ-4517 M177 5.38x40 TM5 hydrophobic
LJ-4517 M177 5.38x40 TM5 Van der Waals
LJ-4517 W246 6.48x48 TM6 hydrophobic
LJ-4517 W246 6.48x48 TM6 Van der Waals
LJ-4517 L249 6.51x51 TM6 Van der Waals
LJ-4517 L249 6.51x51 TM6 hydrophobic
LJ-4517 H250 6.52x52 TM6 aromatic (face-to-edge)
LJ-4517 H250 6.52x52 TM6 Van der Waals
LJ-4517 N253 6.55x55 TM6 polar (hydrogen bond)
LJ-4517 N253 6.55x55 TM6 polar (hydrogen bond)
LJ-4517 L267 7.32x31 TM7 hydrophobic
LJ-4517 L267 7.32x31 TM7 Van der Waals
LJ-4517 M270 7.35x34 TM7 Van der Waals
LJ-4517 M270 7.35x34 TM7 hydrophobic
LJ-4517 Y271 7.36x35 TM7 Van der Waals
LJ-4517 Y271 7.36x35 TM7 hydrophobic
LJ-4517 I274 7.39x38 TM7 hydrophobic
LJ-4517 I274 7.39x38 TM7 Van der Waals
LJ-4517 H278 7.43x42 TM7 Van der Waals

Ligands

LJ-4517

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Residue Diagrams

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
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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
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Residue Table


GPCRdb(A)
GPCRdb(A)
A2A receptor
TM2
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
6x55 6.55x55 N253
TM7
7x31 7.32x31 L267
7x34 7.35x34 M270
7x35 7.36x35 Y271
7x38 7.39x38 I274
7x42 7.43x42 H278