PDB
9EHS
Resolution
3.2 Å
Released
Aug. 20, 2025
Receptor
A3
Class
A
Species
Homo sapiens
Ligand
CHEMBL4439336
Function
Antagonist
Reference
—

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL4439336 Y15 1.35x35 TM1 Van der Waals
CHEMBL4439336 Y15 1.35x35 TM1 polar (hydrogen bond)
CHEMBL4439336 V72 2.64x63 TM2 hydrophobic
CHEMBL4439336 V72 2.64x63 TM2 Van der Waals
CHEMBL4439336 L90 3.32x32 TM3 hydrophobic
CHEMBL4439336 L90 3.32x32 TM3 Van der Waals
CHEMBL4439336 L91 3.33x33 TM3 Van der Waals
CHEMBL4439336 L91 3.33x33 TM3 hydrophobic
CHEMBL4439336 F168 45.52x52 ECL2 hydrophobic
CHEMBL4439336 F168 45.52x52 ECL2 Van der Waals
CHEMBL4439336 V169 ECL2 Van der Waals
CHEMBL4439336 M174 5.35x37 TM5 Van der Waals
CHEMBL4439336 W342 6.48x48 TM6 Van der Waals
CHEMBL4439336 W342 6.48x48 TM6 hydrophobic
CHEMBL4439336 L345 6.51x51 TM6 Van der Waals
CHEMBL4439336 L345 6.51x51 TM6 hydrophobic
CHEMBL4439336 N349 6.55x55 TM6 Van der Waals
CHEMBL4439336 N349 6.55x55 TM6 polar (hydrogen bond)
CHEMBL4439336 Q360 7.32x31 TM7 Van der Waals
CHEMBL4439336 L363 7.35x34 TM7 hydrophobic
CHEMBL4439336 L363 7.35x34 TM7 Van der Waals
CHEMBL4439336 Y364 7.36x35 TM7 polar (hydrogen bond)
CHEMBL4439336 Y364 7.36x35 TM7 polar (hydrogen bond)
CHEMBL4439336 I367 7.39x38 TM7 Van der Waals
CHEMBL4439336 I367 7.39x38 TM7 hydrophobic

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Snake plot — Download: PNG | SVG
ICL1 P S L Q ICL1ECL1 I T I ECL1ICL2 T V R Y K R V T ICL2ECL2 W N M K L T S E Y H R N V T F L S C Q F V S V M ECL2ICL3 S N S K ICL3ECL3 G E V ECL3N-term M P N N S T A L N-termC-term L D T S I E K N S E C-term S L A N V T Y I T M E I F I G L C A I V G N V L V I C V V K L N T T T F Y F I V S L A L A D I A V G V L V M P L A I V V S L G H F Y S C L F M T C L L L I F T H A S I M S L L A I A V D R Y L R V K L T H R R I W L A L G L C W L V S F L V G L T P M F G R M D Y M V Y F S F L T W I F I P L V V M C A I Y L D I F Y I I R N K L S L N L E T G A F Y G R E F K T A K S L F L V L F L F A L S W L P L S I I N C I I Y F N P Q L V L Y M G I L L S H A N S M M N P I V Y A Y K I K K Y L L C V V D S F K E T I L K A C H P S
Helix box plot — Download: PNG | SVG V N G V I A C L G I F I E M T I Y T V N 1 V S L A L A D I A V G L V V M P L A I V V 2 A L L S M I S A H T F I L L L C T M F L 3 I W L A L G L C W L V S F L V G L T P M 4 Y I A C M V V L P I F I W T L F S F Y V M Y 5 F L V L F L F A L S W L P L S I I N C I 6 I P N M M S N A H S L L I G M Y L V L 7

GPCRdb(A)
GPCRdb(A)
A3 receptor
TM1
1x35 1.35x35 Y15
TM2
2x63 2.64x63 V72
TM3
3x32 3.32x32 L90
3x33 3.33x33 L91
ECL2
45x52 45.52x52 F168
TM5
5x37 5.35x37 M174
TM6
6x48 6.48x48 W243
6x51 6.51x51 L246
6x55 6.55x55 N250
TM7
7x31 7.32x31 Q261
7x34 7.35x34 L264
7x35 7.36x35 Y265
7x38 7.39x38 I268