PDB
8HJ5
Resolution
3.0 Å
Released
May 31, 2023
Receptor
MRGPRX1
Class
A
Species
Homo sapiens
Ligand
Function
compound 16 [PMID: 31498617]
Agonist
Reference
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Ligand Amino Acid Generic Number Segment Interaction Type
compound 16 [PMID: 31498617] K96 3.26x26 TM3 polar (hydrogen bond)
compound 16 [PMID: 31498617] Y99 3.29x29 TM3 aromatic (face-to-face)
compound 16 [PMID: 31498617] Y99 3.29x29 TM3 aromatic (edge-to-face)
compound 16 [PMID: 31498617] Y99 3.29x29 TM3 hydrophobic
compound 16 [PMID: 31498617] E157 4.60x60 TM4 hydrophobic
compound 16 [PMID: 31498617] E157 4.60x60 TM4 polar (charge-charge)
compound 16 [PMID: 31498617] W158 4.61x61 TM4 aromatic (edge-to-face)
compound 16 [PMID: 31498617] W158 4.61x61 TM4 hydrophobic
compound 16 [PMID: 31498617] C161 ECL2 Van der Waals
compound 16 [PMID: 31498617] C173 5.36x36 TM5 Van der Waals
compound 16 [PMID: 31498617] D177 5.40x40 TM5 polar (hydrogen bond)
compound 16 [PMID: 31498617] D177 5.40x40 TM5 polar (charge-charge)
compound 16 [PMID: 31498617] F236 6.55x55 TM6 Van der Waals
compound 16 [PMID: 31498617] F237 6.56x56 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
6x56 6.56x56 F237
6x59 6.59x59 L240