PDB
8HTI
Resolution
3.0 Å
Released
Dec. 20, 2023
Receptor
OR52E4
Class
O1
Species
Homo sapiens
Ligand
Function
OCTANOIC ACID
Agonist
Reference
10.1038/S41467-023-43983-9

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Ligand Amino Acid Generic Number Segment Interaction Type
OCTANOIC ACID H107 3.33x33 TM3 hydrophobic
OCTANOIC ACID T110 3.36x36 TM3 Van der Waals
OCTANOIC ACID G111 3.37x37 TM3 Van der Waals
OCTANOIC ACID F161 4.60x60 TM4 hydrophobic
OCTANOIC ACID H183 45.52x52 ECL2 Van der Waals
OCTANOIC ACID G201 5.40x40 TM5 Van der Waals
OCTANOIC ACID V204 5.43x43 TM5 Van der Waals
OCTANOIC ACID I208 hydrophobic
OCTANOIC ACID V209 5.47x47 TM5 hydrophobic
OCTANOIC ACID F261 6.55x55 TM6 hydrophobic
OCTANOIC ACID R265 6.59x59 TM6 polar (hydrogen bond)
OCTANOIC ACID R265 6.59x59 TM6 polar (charge-charge)

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

GPCRdb(A)
GPCRdb(A)
OR52E4
TM3
3x33 3.33x33 H107
3x36 3.36x36 T110
3x37 3.37x37 G111
TM4
4x60 4.60x60 F161
ECL2
45x52 45.52x52 H183
TM5
5x40 5.40x40 G201
5x43 5.43x43 V204
5x47 5.47x47 I208
TM6
6x55 6.55x55 F260
6x59 6.59x59 R264