PDB
7VDH
Resolution
2.9 Å
Released
Dec. 1, 2021
Receptor
MRGPRX2
Class
A
Species
Homo sapiens
Ligand
compound 48/80
Function
Agonist
Reference
10.1038/S41586-021-04077-Y

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Ligand Amino Acid Generic Number Segment Interaction Type
compound 48/80 L25 N-term hydrophobic
compound 48/80 F170 ECL2 aromatic (edge-to-face)
compound 48/80 D184 5.40x40 TM5 polar (charge-assisted hydrogen bond)
compound 48/80 W243 6.55x55 TM6 Van der Waals
compound 48/80 W243 6.55x55 TM6 hydrophobic
compound 48/80 L247 6.59x59 TM6 Van der Waals
compound 48/80 L247 6.59x59 TM6 polar (hydrogen bond with backbone)
compound 48/80 W248 6.60x60 TM6 Van der Waals
compound 48/80 W248 6.60x60 TM6 hydrophobic
compound 48/80 S253 ECL3 Van der Waals
compound 48/80 F257 7.31x30 TM7 Van der Waals
compound 48/80 F257 7.31x30 TM7 hydrophobic

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

GPCRdb(A)
GPCRdb(A)
MRGPRX2
TM5
5x40 5.40x40 D184
TM6
6x55 6.55x55 W243
6x59 6.59x59 L247
6x60 6.60x60 W248
TM7
7x30 7.31x30 F257