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

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL4592653 P123 3.29x29 TM3 Van der Waals
CHEMBL4592653 P123 3.29x29 TM3 polar (hydrogen bond with backbone)
CHEMBL4592653 Q126 3.32x32 TM3 Van der Waals
CHEMBL4592653 A127 3.33x33 TM3 Van der Waals
CHEMBL4592653 Q179 4.60x61 TM4 polar (hydrogen bond)
CHEMBL4592653 Q179 4.60x61 TM4 Van der Waals
CHEMBL4592653 H216 5.39x40 TM5 Van der Waals
CHEMBL4592653 F219 5.42x43 TM5 hydrophobic
CHEMBL4592653 F219 5.42x43 TM5 Van der Waals
CHEMBL4592653 I314 6.51x51 TM6 Van der Waals
CHEMBL4592653 I314 6.51x51 TM6 hydrophobic
CHEMBL4592653 S315 6.52x52 TM6 Van der Waals
CHEMBL4592653 S315 6.52x52 TM6 polar (hydrogen bond)
CHEMBL4592653 N318 6.55x55 TM6 polar (hydrogen bond)
CHEMBL4592653 N318 6.55x55 TM6 Van der Waals
CHEMBL4592653 H344 7.39x38 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
TM3
3x29 3.29x29 P123
3x32 3.32x32 Q126
3x33 3.33x33 A127
TM4
4x61 4.60x61 Q179
TM5
5x40 5.39x40 H216
5x43 5.42x43 F219
TM6
6x51 6.51x51 I314
6x52 6.52x52 S315
6x55 6.55x55 N318
TM7
7x38 7.39x38 H344