PDB
9CHX
Resolution
3.5 Å
Released
Nov. 13, 2024
Receptor
β2
Class
A
Species
Homo sapiens
Ligand
(S)-carazolol
Function
Inverse agonist
Reference
10.1073/PNAS.2414544121

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Ligand Amino Acid Generic Number Segment Interaction Type
(S)-carazolol D113 3.32x32 TM3 polar (charge-assisted hydrogen bond)
(S)-carazolol V114 3.33x33 TM3 hydrophobic
(S)-carazolol V117 3.36x36 TM3 Van der Waals
(S)-carazolol V117 3.36x36 TM3 hydrophobic
(S)-carazolol F193 45.52x52 ECL2 Van der Waals
(S)-carazolol F193 45.52x52 ECL2 hydrophobic
(S)-carazolol T195 ECL2 Van der Waals
(S)-carazolol A200 5.39x40 TM5 hydrophobic
(S)-carazolol S203 5.42x43 TM5 polar (hydrogen bond)
(S)-carazolol S203 5.42x43 TM5 Van der Waals
(S)-carazolol W409 6.48x48 TM6 Van der Waals
(S)-carazolol W409 6.48x48 TM6 hydrophobic
(S)-carazolol F412 6.51x51 TM6 hydrophobic
(S)-carazolol F412 6.51x51 TM6 Van der Waals
(S)-carazolol F413 6.52x52 TM6 aromatic (edge-to-face)
(S)-carazolol F413 6.52x52 TM6 Van der Waals
(S)-carazolol N416 6.55x55 TM6 Van der Waals
(S)-carazolol N435 7.39x38 TM7 polar (hydrogen bond)
(S)-carazolol N435 7.39x38 TM7 polar (hydrogen bond)

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

GPCRdb(A)
GPCRdb(A)
β2-adrenoceptor
TM3
3x32 3.32x32 D113
3x33 3.33x33 V114
3x36 3.36x36 V117
ECL2
45x52 45.52x52 F193
TM5
5x40 5.39x40 A200
5x43 5.42x43 S203
TM6
6x48 6.48x48 W286
6x51 6.51x51 F289
6x52 6.52x52 F290
6x55 6.55x55 N293
TM7
7x38 7.39x38 N312