PDB
7VV0
Resolution
3.5 Å
Released
Dec. 1, 2021
Receptor
MRGPRX2
Class
A
Species
Homo sapiens
Ligand
Function
CHEMBL5665416
Agonist
Reference
10.1038/S41586-021-04077-Y

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Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL5665416 T106 3.29x29 TM3 hydrophobic
CHEMBL5665416 M109 3.32x32 TM3 hydrophobic
CHEMBL5665416 E164 4.60x60 TM4 polar (charge-charge)
CHEMBL5665416 C168 4.64x64 TM4 hydrophobic
CHEMBL5665416 G169 ECL2 Van der Waals
CHEMBL5665416 F170 ECL2 aromatic (edge-to-face)
CHEMBL5665416 F170 ECL2 hydrophobic
CHEMBL5665416 C180 5.36x36 TM5 Van der Waals
CHEMBL5665416 D184 5.40x40 TM5 polar (charge-charge)
CHEMBL5665416 D184 5.40x40 TM5 polar (hydrogen bond)
CHEMBL5665416 W243 6.55x55 TM6 polar (hydrogen bond with backbone)
CHEMBL5665416 W243 6.55x55 TM6 hydrophobic
CHEMBL5665416 W243 6.55x55 TM6 aromatic (pi-cation)
CHEMBL5665416 L247 6.59x59 TM6 hydrophobic
CHEMBL5665416 W248 6.60x60 TM6 Van der Waals
CHEMBL5665416 D254 ECL3 Van der Waals
CHEMBL5665416 F257 7.31x30 TM7 hydrophobic
CHEMBL5665416 H261 7.35x34 TM7 aromatic (edge-to-face)

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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
TM3
3x29 3.29x29 T106
3x32 3.32x32 M109
TM4
4x60 4.60x60 E164
4x64 4.64x64 C168
TM5
5x36 5.36x36 C180
5x40 5.40x40 D184
TM6
6x55 6.55x55 W243
6x59 6.59x59 L247
6x60 6.60x60 W248
TM7
7x30 7.31x30 F257
7x34 7.35x34 H261