PDB
9V81
Resolution
2.6 Å
Released
May 6, 2026
Receptor
MRGPRX4
Class
A
Species
Homo sapiens
Ligand
HEP-50768
Function
Inverse agonist
Reference
—

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Ligand Amino Acid Generic Number Segment Interaction Type
HEP-50768 V99 3.29x29 TM3 hydrophobic
HEP-50768 T103 3.33x33 TM3 polar (hydrogen bond)
HEP-50768 T103 3.33x33 TM3 Van der Waals
HEP-50768 Y106 3.36x36 TM3 hydrophobic
HEP-50768 Y106 3.36x36 TM3 Van der Waals
HEP-50768 F107 3.37x37 TM3 Van der Waals
HEP-50768 F107 3.37x37 TM3 hydrophobic
HEP-50768 E157 4.60x60 TM4 Van der Waals
HEP-50768 P180 5.43x43 TM5 polar (hydrogen bond with backbone)
HEP-50768 P180 5.43x43 TM5 Van der Waals
HEP-50768 V181 5.44x44 TM5 Van der Waals
HEP-50768 L184 5.47x47 TM5 Van der Waals
HEP-50768 F232 6.51x51 TM6 hydrophobic
HEP-50768 F232 6.51x51 TM6 Van der Waals
HEP-50768 G233 6.52x52 TM6 Van der Waals
HEP-50768 L235 6.54x54 TM6 hydrophobic
HEP-50768 G236 6.55x55 TM6 Van der Waals
HEP-50768 A237 6.56x56 TM6 Van der Waals
HEP-50768 A237 6.56x56 TM6 hydrophobic
HEP-50768 I239 ECL3 hydrophobic
HEP-50768 I239 ECL3 Van der Waals
HEP-50768 Y240 ECL3 Van der Waals
HEP-50768 Y254 7.35x34 TM7 aromatic (face-to-edge)
HEP-50768 Y254 7.35x34 TM7 polar (hydrogen bond)
HEP-50768 Y254 7.35x34 TM7 Van der Waals
HEP-50768 M258 7.39x38 TM7 Van der Waals

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

GPCRdb(A)
GPCRdb(A)
MRGPRX4
TM3
3x29 3.29x29 V99
3x33 3.33x33 T103
3x36 3.36x36 Y106
3x37 3.37x37 F107
TM4
4x60 4.60x60 E157
TM5
5x43 5.43x43 P180
5x44 5.44x44 V181
5x47 5.47x47 L184
TM6
6x51 6.51x51 F232
6x52 6.52x52 G233
6x54 6.54x54 L235
6x55 6.55x55 G236
6x56 6.56x56 A237
TM7
7x34 7.35x34 Y254
7x38 7.39x38 M258