PDB
7XJI
Resolution
3.9 Å
Released
May 4, 2022
Receptor
β3
Class
A
Species
Canis lupus familiaris
Ligand
Solabegron
Function
Agonist
Reference
10.1016/J.BBRC.2022.04.065

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Ligand Amino Acid Generic Number Segment Interaction Type
Solabegron D117 3.32x32 TM3 polar (charge-assisted hydrogen bond)
Solabegron V118 3.33x33 TM3 hydrophobic
Solabegron V118 3.33x33 TM3 Van der Waals
Solabegron V121 3.36x36 TM3 hydrophobic
Solabegron V121 3.36x36 TM3 Van der Waals
Solabegron C189 ECL2 Van der Waals
Solabegron F198 45.52x52 ECL2 aromatic (face-to-edge)
Solabegron F198 45.52x52 ECL2 Van der Waals
Solabegron W305 6.48x48 TM6 hydrophobic
Solabegron W305 6.48x48 TM6 Van der Waals
Solabegron F308 6.51x51 TM6 Van der Waals
Solabegron F308 6.51x51 TM6 hydrophobic
Solabegron F309 6.52x52 TM6 aromatic (face-to-edge)
Solabegron F309 6.52x52 TM6 Van der Waals
Solabegron S325 7.32x31 TM7 Van der Waals
Solabegron L328 7.35x34 TM7 hydrophobic
Solabegron L328 7.35x34 TM7 Van der Waals
Solabegron L329 7.36x35 TM7 Van der Waals
Solabegron L329 7.36x35 TM7 hydrophobic
Solabegron N332 7.39x38 TM7 polar (hydrogen bond)
Solabegron N332 7.39x38 TM7 polar (hydrogen bond)
Solabegron Y336 7.43x42 TM7 Van der Waals
Solabegron Y336 7.43x42 TM7 polar (hydrogen bond)

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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
3x32 3.32x32 D117
3x33 3.33x33 V118
3x36 3.36x36 V121
ECL2
45x52 45.52x52 F198
TM6
6x48 6.48x48 W305
6x51 6.51x51 F308
6x52 6.52x52 F309
TM7
7x31 7.32x31 S325
7x34 7.35x34 L328
7x35 7.36x35 L329
7x38 7.39x38 N332
7x42 7.43x42 Y336