PDB
6TP3
Resolution
3.0 Å
Released
Jan. 1, 2020
Receptor
OX1
Class
A
Species
Homo sapiens
Ligand
Function
daridorexant
Antagonist
Reference
10.1021/acs.jmedchem.9b01787

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Ligand Amino Acid Generic Number Segment Interaction Type
daridorexant A102 2.60x59 TM2 hydrophobic
daridorexant S103 2.61x60 TM2 Van der Waals
daridorexant V106 2.64x63 TM2 hydrophobic
daridorexant D107 2.65x64 TM2 Van der Waals
daridorexant W112 23.50x50 ECL1 hydrophobic
daridorexant I122 3.28x28 TM3 hydrophobic
daridorexant P123 3.29x29 TM3 hydrophobic
daridorexant Q126 3.32x32 TM3 hydrophobic
daridorexant A127 3.33x33 TM3 hydrophobic
daridorexant V130 3.36x36 TM3 Van der Waals
daridorexant Q179 4.60x61 TM4 hydrophobic
daridorexant E204 45.52x52 ECL2 Van der Waals
daridorexant F219 5.42x43 TM5 Van der Waals
daridorexant Y311 6.48x48 TM6 Van der Waals
daridorexant I314 6.51x51 TM6 Van der Waals
daridorexant N318 6.55x55 TM6 polar (hydrogen bond)
daridorexant H344 7.39x38 TM7 hydrophobic
daridorexant H344 7.39x38 TM7 aromatic (face-to-face)
daridorexant V347 7.42x41 TM7 Van der Waals
daridorexant Y348 7.43x42 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
OX1 receptor
TM2
2x59 2.60x59 A102
2x60 2.61x60 S103
2x63 2.64x63 V106
2x64 2.65x64 D107
ECL1
23x50 23.50x50 W112
TM3
3x28 3.28x28 I122
3x29 3.29x29 P123
3x32 3.32x32 Q126
3x33 3.33x33 A127
3x36 3.36x36 V130
TM4
4x61 4.60x61 Q179
ECL2
45x52 45.52x52 E204
TM5
5x43 5.42x43 F219
TM6
6x48 6.48x48 Y311
6x51 6.51x51 I314
6x55 6.55x55 N318
TM7
7x38 7.39x38 H344
7x41 7.42x41 V347
7x42 7.43x42 Y348