PDB
7XRR
Resolution
2.9 Å
Released
Nov. 23, 2022
Receptor
OX2
Class
A
Species
Homo sapiens
Ligand
Function
lemborexant
Antagonist
Reference
10.1016/J.STR.2022.11.001

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Ligand Amino Acid Generic Number Segment Interaction Type
lemborexant A110 2.60x59 TM2 Van der Waals
lemborexant T111 2.61x60 TM2 hydrophobic
lemborexant V114 2.64x63 TM2 hydrophobic
lemborexant D115 2.65x64 TM2 Van der Waals
lemborexant W120 23.50x50 ECL1 Van der Waals
lemborexant I130 3.28x28 TM3 Van der Waals
lemborexant P131 3.29x29 TM3 hydrophobic
lemborexant Q134 3.32x32 TM3 polar (hydrogen bond)
lemborexant T135 3.33x33 TM3 hydrophobic
lemborexant V138 3.36x36 TM3 Van der Waals
lemborexant Q187 4.60x61 TM4 Van der Waals
lemborexant E212 45.52x52 ECL2 Van der Waals
lemborexant F227 5.42x43 TM5 aromatic (edge-to-face)
lemborexant F227 5.42x43 TM5 hydrophobic
lemborexant I320 6.51x51 TM6 hydrophobic
lemborexant N324 6.55x55 TM6 hydrophobic
lemborexant H350 7.39x38 TM7 aromatic (face-to-face)

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

GPCRdb(A)
GPCRdb(A)
OX2 receptor
TM2
2x59 2.60x59 A110
2x60 2.61x60 T111
2x63 2.64x63 V114
2x64 2.65x64 D115
ECL1
23x50 23.50x50 W120
TM3
3x28 3.28x28 I130
3x29 3.29x29 P131
3x32 3.32x32 Q134
3x33 3.33x33 T135
3x36 3.36x36 V138
TM4
4x61 4.60x61 Q187
ECL2
45x52 45.52x52 E212
TM5
5x43 5.42x43 F227
TM6
6x51 6.51x51 I320
6x55 6.55x55 N324
TM7
7x38 7.39x38 H350