Structure information

A2A receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

8GNE

SPECIES

Homo sapiens

RESOLUTION

2.300

PREFERRED CHAIN

A

REFERENCE

10.1124/MOLPHARM.122.000633

PUBLICATION DATE

March 22, 2023

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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
Sipagladenant I66 2.64x63 TM2 hydrophobic
Sipagladenant A81 3.29x29 TM3 hydrophobic
Sipagladenant F168 45.52x52 ECL2 aromatic (face-to-face)
Sipagladenant M177 5.38x40 TM5 hydrophobic
Sipagladenant W246 6.48x48 TM6 hydrophobic
Sipagladenant L249 6.51x51 TM6 hydrophobic
Sipagladenant H250 6.52x52 TM6 aromatic (face-to-edge)
Sipagladenant N253 6.55x55 TM6 polar (hydrogen bond)
Sipagladenant N253 6.55x55 TM6 polar (hydrogen bond)
Sipagladenant T256 6.58x58 TM6 polar (hydrogen bond)
Sipagladenant T256 6.58x58 TM6 Van der Waals
Sipagladenant H264 ECL3 Van der Waals
Sipagladenant M270 7.35x34 TM7 hydrophobic
Sipagladenant M270 7.35x34 TM7 Van der Waals
Sipagladenant I274 7.39x38 TM7 Van der Waals
Sipagladenant I274 7.39x38 TM7 hydrophobic

Ligands

Sipagladenant

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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
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