PDB
9IJD
Resolution
2.8 Å
Released
Aug. 21, 2024
Receptor
β3
Class
A
Species
Homo sapiens
Ligand
(S)-carazolol
Function
Agonist
Reference
10.1002/CPLU.202400288

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Ligand Amino Acid Generic Number Segment Interaction Type
(S)-carazolol W113 3.28x28 TM3 hydrophobic
(S)-carazolol V118 3.33x33 TM3 hydrophobic
(S)-carazolol V121 3.36x36 TM3 hydrophobic
(S)-carazolol V205 5.39x40 TM5 hydrophobic
(S)-carazolol S208 5.42x43 TM5 polar (hydrogen bond)
(S)-carazolol S208 5.42x43 TM5 Van der Waals
(S)-carazolol S212 5.46x461 TM5 Van der Waals
(S)-carazolol F308 6.51x51 TM6 hydrophobic
(S)-carazolol F308 6.51x51 TM6 Van der Waals
(S)-carazolol F309 6.52x52 TM6 aromatic (edge-to-face)
(S)-carazolol F309 6.52x52 TM6 Van der Waals
(S)-carazolol N312 6.55x55 TM6 Van der Waals
(S)-carazolol N332 7.39x38 TM7 polar (hydrogen bond)
(S)-carazolol N332 7.39x38 TM7 polar (hydrogen bond)
(S)-carazolol N332 7.39x38 TM7 polar (hydrogen bond)
(S)-carazolol Y336 7.43x42 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
β3-adrenoceptor
TM3
3x28 3.28x28 W113
3x33 3.33x33 V118
3x36 3.36x36 V121
TM5
5x40 5.39x40 V205
5x43 5.42x43 S208
5x461 5.46x461 S212
TM6
6x51 6.51x51 F308
6x52 6.52x52 F309
6x55 6.55x55 N312
TM7
7x38 7.39x38 N332
7x42 7.43x42 Y336