PDB
7DH5
Resolution
3.2 Å
Released
Aug. 4, 2021
Receptor
β3
Class
A
Species
Canis lupus familiaris
Ligand
mirabegron
Function
Agonist
Reference
10.1016/J.MOLCEL.2021.06.024

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Ligand Amino Acid Generic Number Segment Interaction Type
mirabegron W113 3.28x28 TM3 hydrophobic
mirabegron D117 3.32x32 TM3 polar (charge-assisted hydrogen bond)
mirabegron V118 3.33x33 TM3 hydrophobic
mirabegron V121 3.36x36 TM3 Van der Waals
mirabegron V121 3.36x36 TM3 hydrophobic
mirabegron C196 45.50x50 ECL2 Van der Waals
mirabegron C196 45.50x50 ECL2 polar (hydrogen bond with backbone)
mirabegron A197 45.51x51 ECL2 Van der Waals
mirabegron A197 45.51x51 ECL2 hydrophobic
mirabegron F198 45.52x52 ECL2 Van der Waals
mirabegron F198 45.52x52 ECL2 aromatic (edge-to-face)
mirabegron F198 45.52x52 ECL2 polar (hydrogen bond with backbone)
mirabegron S208 5.42x43 TM5 Van der Waals
mirabegron S212 5.46x461 TM5 Van der Waals
mirabegron F308 6.51x51 TM6 Van der Waals
mirabegron F308 6.51x51 TM6 hydrophobic
mirabegron F309 6.52x52 TM6 aromatic (edge-to-face)
mirabegron F309 6.52x52 TM6 Van der Waals
mirabegron R315 6.58x58 TM6 polar (charge-assisted hydrogen bond)
mirabegron S325 7.32x31 TM7 Van der Waals
mirabegron L329 7.36x35 TM7 hydrophobic
mirabegron L329 7.36x35 TM7 Van der Waals
mirabegron N332 7.39x38 TM7 polar (hydrogen bond)
mirabegron N332 7.39x38 TM7 polar (hydrogen bond)
mirabegron Y336 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
β3-adrenoceptor
TM3
3x28 3.28x28 W113
3x32 3.32x32 D117
3x33 3.33x33 V118
3x36 3.36x36 V121
ECL2
45x50 45.50x50 C196
45x51 45.51x51 A197
45x52 45.52x52 F198
TM5
5x43 5.42x43 S208
5x461 5.46x461 S212
TM6
6x51 6.51x51 F308
6x52 6.52x52 F309
6x58 6.58x58 R315
TM7
7x31 7.32x31 S325
7x35 7.36x35 L329
7x38 7.39x38 N332
7x42 7.43x42 Y336