PDB
7VV6
Resolution
3.3 Å
Released
Dec. 1, 2021
Receptor
MRGPRX2
Class
A
Species
Homo sapiens
Ligand
Function
compound 48/80
Agonist
Reference
10.1038/S41586-021-04077-Y

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Ligand Amino Acid Generic Number Segment Interaction Type
compound 48/80 Q20 N-term Van der Waals
compound 48/80 L22 N-term hydrophobic
compound 48/80 L25 N-term Van der Waals
compound 48/80 E164 4.60x60 TM4 polar (charge-charge)
compound 48/80 C168 4.64x64 TM4 Van der Waals
compound 48/80 F170 ECL2 aromatic (edge-to-face)
compound 48/80 D176 5.32x32 TM5 Van der Waals
compound 48/80 S177 5.33x33 TM5 Van der Waals
compound 48/80 C180 5.36x36 TM5 Van der Waals
compound 48/80 D184 5.40x40 TM5 polar (hydrogen bond)
compound 48/80 D184 5.40x40 TM5 polar (charge-charge)
compound 48/80 W243 6.55x55 TM6 aromatic (pi-cation)
compound 48/80 W243 6.55x55 TM6 aromatic (edge-to-face)
compound 48/80 W243 6.55x55 TM6 hydrophobic
compound 48/80 L247 6.59x59 TM6 Van der Waals
compound 48/80 W248 6.60x60 TM6 hydrophobic
compound 48/80 W248 6.60x60 TM6 aromatic (pi-cation)
compound 48/80 S253 ECL3 Van der Waals
compound 48/80 F257 7.31x30 TM7 Van der Waals

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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
TM4
4x60 4.60x60 E164
4x64 4.64x64 C168
TM5
5x32 5.32x32 D176
5x33 5.33x33 S177
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