PDB
8DWC
Resolution
2.9 Å
Released
Nov. 2, 2022
Receptor
MRGPRX1
Class
A
Species
Homo sapiens
Ligand
bovine adrenal medulla peptide 8-22 (Human)
Function
Agonist
Reference
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Ligand Amino Acid Generic Number Segment Interaction Type
bovine adrenal medulla peptide 8-22 (Human) Y99 3.29x29 TM3 Van der Waals
bovine adrenal medulla peptide 8-22 (Human) Y99 3.29x29 TM3 polar (hydrogen bond)
bovine adrenal medulla peptide 8-22 (Human) P100 3.30x30 TM3 hydrophobic
bovine adrenal medulla peptide 8-22 (Human) P100 3.30x30 TM3 Van der Waals
bovine adrenal medulla peptide 8-22 (Human) E157 4.60x60 TM4 polar (charge-assisted hydrogen bond)
bovine adrenal medulla peptide 8-22 (Human) W158 4.61x61 TM4 Van der Waals
bovine adrenal medulla peptide 8-22 (Human) W158 4.61x61 TM4 aromatic (edge-to-face)
bovine adrenal medulla peptide 8-22 (Human) C161 4.64x64 TM4 polar (hydrogen bond)
bovine adrenal medulla peptide 8-22 (Human) F163 ECL2 hydrophobic
bovine adrenal medulla peptide 8-22 (Human) F163 ECL2 Van der Waals
bovine adrenal medulla peptide 8-22 (Human) C173 5.36x36 TM5 Van der Waals
bovine adrenal medulla peptide 8-22 (Human) F236 6.55x55 TM6 hydrophobic
bovine adrenal medulla peptide 8-22 (Human) L240 6.59x59 TM6 polar (hydrogen bond with backbone)
bovine adrenal medulla peptide 8-22 (Human) L240 6.59x59 TM6 Van der Waals
bovine adrenal medulla peptide 8-22 (Human) W241 6.60x60 TM6 Van der Waals
bovine adrenal medulla peptide 8-22 (Human) W241 6.60x60 TM6 aromatic (face-to-edge)
bovine adrenal medulla peptide 8-22 (Human) H243 ECL3 Van der Waals
bovine adrenal medulla peptide 8-22 (Human) F250 7.31x30 TM7 hydrophobic
bovine adrenal medulla peptide 8-22 (Human) F250 7.31x30 TM7 Van der Waals
bovine adrenal medulla peptide 8-22 (Human) H254 7.35x34 TM7 Van der Waals

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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
3x29 3.29x29 Y99
3x30 3.30x30 P100
TM4
4x60 4.60x60 E157
4x61 4.61x61 W158
4x64 4.64x64 C161
TM5
5x36 5.36x36 C173
TM6
6x55 6.55x55 F236
6x59 6.59x59 L240
6x60 6.60x60 W241
TM7
7x30 7.31x30 F250
7x34 7.35x34 H254