PDB
6TQ6
Resolution
2.6 Å
Released
Jan. 1, 2020
Receptor
OX1
Class
A
Species
Homo sapiens
Ligand
Function
CHEMBL4592653
Antagonist
Reference
10.1021/acs.jmedchem.9b01787

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL4592653 C99 2.57x56 TM2 hydrophobic
CHEMBL4592653 A102 2.60x59 TM2 Van der Waals
CHEMBL4592653 S103 2.61x60 TM2 Van der Waals
CHEMBL4592653 W112 23.50x50 ECL1 Van der Waals
CHEMBL4592653 I122 3.28x28 TM3 hydrophobic
CHEMBL4592653 P123 3.29x29 TM3 hydrophobic
CHEMBL4592653 Q126 3.32x32 TM3 hydrophobic
CHEMBL4592653 A127 3.33x33 TM3 Van der Waals
CHEMBL4592653 V130 3.36x36 TM3 Van der Waals
CHEMBL4592653 Q179 4.60x61 TM4 hydrophobic
CHEMBL4592653 H216 5.39x40 TM5 Van der Waals
CHEMBL4592653 F219 5.42x43 TM5 aromatic (face-to-face)
CHEMBL4592653 F219 5.42x43 TM5 aromatic (edge-to-face)
CHEMBL4592653 F219 5.42x43 TM5 hydrophobic
CHEMBL4592653 Y311 6.48x48 TM6 Van der Waals
CHEMBL4592653 I314 6.51x51 TM6 hydrophobic
CHEMBL4592653 S315 6.52x52 TM6 Van der Waals
CHEMBL4592653 N318 6.55x55 TM6 Van der Waals
CHEMBL4592653 H344 7.39x38 TM7 Van der Waals
CHEMBL4592653 Y348 7.43x42 TM7 Van der Waals

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Snake plot — Download: PNG | SVG
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
2x56 2.57x56 C99
2x59 2.60x59 A102
2x60 2.61x60 S103
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
TM5
5x40 5.39x40 H216
5x43 5.42x43 F219
TM6
6x48 6.48x48 Y311
6x51 6.51x51 I314
6x52 6.52x52 S315
6x55 6.55x55 N318
TM7
7x38 7.39x38 H344
7x42 7.43x42 Y348