PDB
7S8O
Resolution
2.6 Å
Released
Nov. 17, 2021
Receptor
MRGPRX2
Class
A
Species
Homo sapiens
Ligand
Function
(R)-ZINC-3573
Agonist
Reference
10.1038/S41586-021-04126-6

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Ligand Amino Acid Generic Number Segment Interaction Type
(R)-ZINC-3573 E164 4.60x60 TM4 polar (charge-charge)
(R)-ZINC-3573 C168 4.64x64 TM4 Van der Waals
(R)-ZINC-3573 F170 ECL2 Van der Waals
(R)-ZINC-3573 D176 ECL2 Van der Waals
(R)-ZINC-3573 S177 5.33x33 TM5 Van der Waals
(R)-ZINC-3573 C180 5.36x36 TM5 Van der Waals
(R)-ZINC-3573 D184 5.40x40 TM5 polar (hydrogen bond)
(R)-ZINC-3573 D184 5.40x40 TM5 polar (charge-charge)
(R)-ZINC-3573 W243 6.55x55 TM6 aromatic (pi-cation)
(R)-ZINC-3573 F244 6.56x56 TM6 Van der Waals
(R)-ZINC-3573 L247 6.59x59 TM6 hydrophobic
(R)-ZINC-3573 W248 6.60x60 TM6 hydrophobic
(R)-ZINC-3573 W248 6.60x60 TM6 aromatic (face-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
TM4
4x60 4.60x60 E164
4x64 4.64x64 C168
TM5
5x33 5.33x33 S177
5x36 5.36x36 C180
5x40 5.40x40 D184
TM6
6x55 6.55x55 W243
6x56 6.56x56 F244
6x59 6.59x59 L247
6x60 6.60x60 W248