PDB
6PS5
Resolution
2.9 Å
Released
Nov. 13, 2019
Receptor
β2
Class
A
Species
Homo sapiens
Ligand
(-)-propranolol
Function
Inverse agonist
Reference
10.1107/S2052252519013137

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Ligand Amino Acid Generic Number Segment Interaction Type
(-)-propranolol D113 3.32x32 TM3 polar (charge-assisted hydrogen bond)
(-)-propranolol V114 3.33x33 TM3 hydrophobic
(-)-propranolol V114 3.33x33 TM3 Van der Waals
(-)-propranolol V117 3.36x36 TM3 Van der Waals
(-)-propranolol V117 3.36x36 TM3 hydrophobic
(-)-propranolol F193 45.52x52 ECL2 Van der Waals
(-)-propranolol F193 45.52x52 ECL2 aromatic (edge-to-face)
(-)-propranolol S203 5.42x43 TM5 Van der Waals
(-)-propranolol S204 5.43x44 TM5 Van der Waals
(-)-propranolol S207 5.46x461 TM5 Van der Waals
(-)-propranolol W286 6.48x48 TM6 Van der Waals
(-)-propranolol F289 6.51x51 TM6 Van der Waals
(-)-propranolol F289 6.51x51 TM6 hydrophobic
(-)-propranolol F290 6.52x52 TM6 aromatic (edge-to-face)
(-)-propranolol F290 6.52x52 TM6 Van der Waals
(-)-propranolol N293 6.55x55 TM6 Van der Waals
(-)-propranolol N312 7.39x38 TM7 polar (hydrogen bond)
(-)-propranolol N312 7.39x38 TM7 polar (hydrogen bond)
(-)-propranolol Y316 7.43x42 TM7 Van der Waals

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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
5x43 5.42x43 S203
5x44 5.43x44 S204
5x461 5.46x461 S207
TM6
6x48 6.48x48 W286
6x51 6.51x51 F289
6x52 6.52x52 F290
6x55 6.55x55 N293
TM7
7x38 7.39x38 N312
7x42 7.43x42 Y316