PDB
7S8L
Resolution
2.5 Å
Released
Nov. 17, 2021
Receptor
MRGPRX2
Class
A
Species
Homo sapiens
Ligand
Function
CORTISTATIN-14
Agonist
Reference
10.1038/S41586-021-04126-6

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Ligand Amino Acid Generic Number Segment Interaction Type
CORTISTATIN-14 F81 2.56x56 TM2 hydrophobic
CORTISTATIN-14 I84 2.59x59 TM2 hydrophobic
CORTISTATIN-14 N85 2.60x60 TM2 polar (hydrogen bond)
CORTISTATIN-14 N85 2.60x60 TM2 hydrophobic
CORTISTATIN-14 V88 2.63x63 TM2 Van der Waals
CORTISTATIN-14 Y89 2.64x64 TM2 Van der Waals
CORTISTATIN-14 P102 ECL1 Van der Waals
CORTISTATIN-14 F105 3.28x28 TM3 hydrophobic
CORTISTATIN-14 T106 3.29x29 TM3 hydrophobic
CORTISTATIN-14 M109 3.32x32 TM3 hydrophobic
CORTISTATIN-14 E164 4.60x60 TM4 Van der Waals
CORTISTATIN-14 C168 4.64x64 TM4 hydrophobic
CORTISTATIN-14 F170 ECL2 Van der Waals
CORTISTATIN-14 C180 5.36x36 TM5 hydrophobic
CORTISTATIN-14 D184 5.40x40 TM5 polar (hydrogen bond)
CORTISTATIN-14 D184 5.40x40 TM5 polar (charge-charge)
CORTISTATIN-14 W243 6.55x55 TM6 polar (hydrogen bond with backbone)
CORTISTATIN-14 W243 6.55x55 TM6 aromatic (pi-cation)
CORTISTATIN-14 W243 6.55x55 TM6 aromatic (edge-to-face)
CORTISTATIN-14 W243 6.55x55 TM6 hydrophobic
CORTISTATIN-14 F244 6.56x56 TM6 Van der Waals
CORTISTATIN-14 L247 6.59x59 TM6 Van der Waals
CORTISTATIN-14 W248 6.60x60 TM6 Van der Waals
CORTISTATIN-14 F257 7.31x30 TM7 Van der Waals
CORTISTATIN-14 H261 7.35x34 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
TM2
2x56 2.56x56 F81
2x59 2.59x59 I84
2x60 2.60x60 N85
2x63 2.63x63 V88
2x64 2.64x64 Y89
TM3
3x28 3.28x28 F105
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
6x56 6.56x56 F244
6x59 6.59x59 L247
6x60 6.60x60 W248
TM7
7x30 7.31x30 F257
7x34 7.35x34 H261