Structure information

A2A receptor

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

5IUB

SPECIES

Homo sapiens

RESOLUTION

2.100

PREFERRED CHAIN

A

REFERENCE

10.1021/acs.jmedchem.6b00653

PUBLICATION DATE

June 29, 2016

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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
CHEMBL184061 L85 3.33x33 TM3 hydrophobic
CHEMBL184061 F168 45.52x52 ECL2 aromatic (face-to-face)
CHEMBL184061 E169 ECL2 polar (charge-assisted hydrogen bond)
CHEMBL184061 M177 5.38x40 TM5 hydrophobic
CHEMBL184061 M177 5.38x40 TM5 Van der Waals
CHEMBL184061 W246 6.48x48 TM6 hydrophobic
CHEMBL184061 W246 6.48x48 TM6 Van der Waals
CHEMBL184061 L249 6.51x51 TM6 hydrophobic
CHEMBL184061 L249 6.51x51 TM6 Van der Waals
CHEMBL184061 H250 6.52x52 TM6 Van der Waals
CHEMBL184061 H250 6.52x52 TM6 aromatic (face-to-edge)
CHEMBL184061 N253 6.55x55 TM6 polar (hydrogen bond)
CHEMBL184061 N253 6.55x55 TM6 polar (hydrogen bond)
CHEMBL184061 H264 ECL3 aromatic (face-to-face)
CHEMBL184061 H264 ECL3 Van der Waals
CHEMBL184061 A265 ECL3 Van der Waals
CHEMBL184061 A265 ECL3 polar (hydrogen bond with backbone)
CHEMBL184061 P266 7.31x30 TM7 Van der Waals
CHEMBL184061 L267 7.32x31 TM7 Van der Waals
CHEMBL184061 L267 7.32x31 TM7 polar (hydrogen bond with backbone)
CHEMBL184061 M270 7.35x34 TM7 Van der Waals
CHEMBL184061 M270 7.35x34 TM7 hydrophobic
CHEMBL184061 Y271 7.36x35 TM7 Van der Waals
CHEMBL184061 Y271 7.36x35 TM7 hydrophobic
CHEMBL184061 I274 7.39x38 TM7 hydrophobic
CHEMBL184061 I274 7.39x38 TM7 Van der Waals

Ligands

CHEMBL184061

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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
TM3
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
7x30 7.31x30 P266
7x31 7.32x31 L267
7x34 7.35x34 M270
7x35 7.36x35 Y271
7x38 7.39x38 I274