PDB
8YH6
Resolution
3.6 Å
Released
Nov. 6, 2024
Receptor
A3
Class
A
Species
Ovis aries
Ligand
Cl-IB-MECA
Function
Agonist
Reference
10.1038/S41467-024-53473-1

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Ligand Amino Acid Generic Number Segment Interaction Type
Cl-IB-MECA L91 3.33x33 TM3 hydrophobic
Cl-IB-MECA T94 3.36x36 TM3 Van der Waals
Cl-IB-MECA T94 3.36x36 TM3 polar (hydrogen bond)
Cl-IB-MECA F167 45.52x52 ECL2 aromatic (face-to-face)
Cl-IB-MECA F167 45.52x52 ECL2 Van der Waals
Cl-IB-MECA R168 ECL2 polar (charge-assisted hydrogen bond)
Cl-IB-MECA M173 ECL2 Van der Waals
Cl-IB-MECA M173 ECL2 hydrophobic
Cl-IB-MECA M176 ECL2 Van der Waals
Cl-IB-MECA W242 6.48x48 TM6 Van der Waals
Cl-IB-MECA L245 6.51x51 TM6 hydrophobic
Cl-IB-MECA L245 6.51x51 TM6 Van der Waals
Cl-IB-MECA N249 6.55x55 TM6 Van der Waals
Cl-IB-MECA N249 6.55x55 TM6 polar (hydrogen bond)
Cl-IB-MECA N249 6.55x55 TM6 polar (hydrogen bond)
Cl-IB-MECA L252 6.58x58 TM6 Van der Waals
Cl-IB-MECA L252 6.58x58 TM6 hydrophobic
Cl-IB-MECA L263 7.35x34 TM7 hydrophobic
Cl-IB-MECA L263 7.35x34 TM7 Van der Waals
Cl-IB-MECA I267 7.39x38 TM7 hydrophobic
Cl-IB-MECA I267 7.39x38 TM7 Van der Waals
Cl-IB-MECA H271 7.43x42 TM7 polar (hydrogen bond)
Cl-IB-MECA H271 7.43x42 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
ICL1 P S L Q ICL1ECL1 V T I ECL1ICL2 T V R Y R R V T ICL2ECL2 W N M K L S S A D E N L T F L P C R F R S V M R M D Y M V Y F ECL2ECL3 D G Q V ECL3N-term M P V N S T A V N-termC-term Q P S K S M D P S T E Q T S E C-term S W T S V T Y I T V E I L I G L C A I V G N V L V I W 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 I S L G H F Y S C L F M T C L M 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 Q R R I W L A L G L C W L V S F L V G L T P M F G S F F L W I L V P L V V M C A I Y F D I F Y I I R N R L S Q S F S G S R E T G A F Y G R E F K T A K S L L L V L F L F A L C W L P L S I I N C I L Y F P Q T V L Y L G I L L S H A N S M M N P I V Y A Y K I K K F L L I V M C K E T Y L K A C
Helix box plot — Download: PNG | SVG V N G V I A C L G I L I E V T I Y T V S 1 V S L A L A D I A V G L V V M P L A I V I 2 A L L S M I S A H T F I L M 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 V L I W L F F S 5 L L V L F L F A L C 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 L Y L V T 7

GPCRdb(A)
GPCRdb(A)
A3 receptor
TM3
3x33 3.33x33 L91
3x36 3.36x36 T94
ECL2
45x52 45.52x52 F167
TM6
6x48 6.48x48 W242
6x51 6.51x51 L245
6x55 6.55x55 N249
6x58 6.58x58 L252
TM7
7x34 7.35x34 L263
7x38 7.39x38 I267
7x42 7.43x42 H271