PDB
8HJ5
Resolution
3.0 Å
Released
May 31, 2023
Receptor
MRGPRX1
Class
A
Species
Homo sapiens
Ligand
compound 16 [PMID: 31498617]
Function
Agonist
Reference
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Ligand Amino Acid Generic Number Segment Interaction Type
compound 16 [PMID: 31498617] K96 3.26x26 TM3 polar (charge-assisted hydrogen bond)
compound 16 [PMID: 31498617] Y99 3.29x29 TM3 aromatic (face-to-edge)
compound 16 [PMID: 31498617] Y99 3.29x29 TM3 Van der Waals
compound 16 [PMID: 31498617] E157 4.60x60 TM4 polar (charge-assisted hydrogen bond)
compound 16 [PMID: 31498617] W158 4.61x61 TM4 aromatic (edge-to-face)
compound 16 [PMID: 31498617] W158 4.61x61 TM4 Van der Waals
compound 16 [PMID: 31498617] C173 5.36x36 TM5 polar (hydrogen bond)
compound 16 [PMID: 31498617] C173 5.36x36 TM5 Van der Waals
compound 16 [PMID: 31498617] D177 5.40x40 TM5 polar (charge-assisted hydrogen bond)
compound 16 [PMID: 31498617] F236 6.55x55 TM6 hydrophobic
compound 16 [PMID: 31498617] L240 6.59x59 TM6 Van der Waals
compound 16 [PMID: 31498617] L240 6.59x59 TM6 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
MRGPRX1
TM3
3x26 3.26x26 K96
3x29 3.29x29 Y99
TM4
4x60 4.60x60 E157
4x61 4.61x61 W158
TM5
5x36 5.36x36 C173
5x40 5.40x40 D177
TM6
6x55 6.55x55 F236
6x59 6.59x59 L240