PDB
8X17
Resolution
3.2 Å
Released
April 24, 2024
Receptor
A3
Class
A
Species
Homo sapiens
Ligand
Function
Cl-IB-MECA
Agonist
Reference
10.1038/S41467-024-47207-6

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Ligand Amino Acid Generic Number Segment Interaction Type
Cl-IB-MECA V72 2.64x63 TM2 Van der Waals
Cl-IB-MECA L91 3.33x33 TM3 Van der Waals
Cl-IB-MECA T94 3.36x36 TM3 polar (hydrogen bond)
Cl-IB-MECA H95 3.37x37 TM3 Van der Waals
Cl-IB-MECA Q167 45.51x51 ECL2 Van der Waals
Cl-IB-MECA F168 45.52x52 ECL2 aromatic (face-to-face)
Cl-IB-MECA V169 ECL2 hydrophobic
Cl-IB-MECA M177 5.38x40 TM5 Van der Waals
Cl-IB-MECA S181 5.42x43 TM5 Van der Waals
Cl-IB-MECA I186 5.47x47 TM5 Van der Waals
Cl-IB-MECA W243 6.48x48 TM6 Van der Waals
Cl-IB-MECA L246 6.51x51 TM6 Van der Waals
Cl-IB-MECA N250 6.55x55 TM6 polar (hydrogen bond)
Cl-IB-MECA Q261 7.32x31 TM7 Van der Waals
Cl-IB-MECA L264 7.35x34 TM7 hydrophobic
Cl-IB-MECA Y265 7.36x35 TM7 Van der Waals
Cl-IB-MECA I268 7.39x38 TM7 Van der Waals
Cl-IB-MECA S271 7.42x41 TM7 Van der Waals
Cl-IB-MECA H272 7.43x42 TM7 polar (hydrogen bond)

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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
TM2
2x63 2.64x63 V72
TM3
3x33 3.33x33 L91
3x36 3.36x36 T94
3x37 3.37x37 H95
ECL2
45x51 45.51x51 Q167
45x52 45.52x52 F168
TM5
5x40 5.38x40 M177
5x43 5.42x43 S181
5x47 5.47x47 I186
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
7x41 7.42x41 S271
7x42 7.43x42 H272