Structure information

MRGPRX1

PROTEIN CLASS

Class A (Rhodopsin)

PDB CODE

8DWG

SPECIES

Homo sapiens

RESOLUTION

2.710

PREFERRED CHAIN

R

REFERENCE

10.1038/S41589-022-01173-6

PUBLICATION DATE

Nov. 2, 2022

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Ligand Interaction Browser

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Ligand Amino Acid Generic Number Segment Interaction Type
Ligand Amino Acid Generic Number Segment Interaction Type
CHEMBL5177388 R79 2.57x57 TM2 polar (charge-assisted hydrogen bond)
CHEMBL5177388 Y82 2.60x60 TM2 aromatic (face-to-face)
CHEMBL5177388 Y82 2.60x60 TM2 Van der Waals
CHEMBL5177388 S83 2.61x61 TM2 Van der Waals
CHEMBL5177388 L98 3.28x28 TM3 hydrophobic
CHEMBL5177388 L98 3.28x28 TM3 Van der Waals
CHEMBL5177388 Y99 3.29x29 TM3 Van der Waals
Proenkephalin-A Y99 3.29x29 TM3 polar (hydrogen bond)
Proenkephalin-A Y99 3.29x29 TM3 Van der Waals
CHEMBL5177388 Y99 3.29x29 TM3 hydrophobic
Proenkephalin-A P100 3.30x30 TM3 Van der Waals
CHEMBL5177388 M102 3.32x32 TM3 hydrophobic
CHEMBL5177388 M102 3.32x32 TM3 Van der Waals
Proenkephalin-A E157 4.60x60 TM4 polar (charge-assisted hydrogen bond)
Proenkephalin-A W158 4.61x61 TM4 hydrophobic
Proenkephalin-A W158 4.61x61 TM4 Van der Waals
Proenkephalin-A C161 4.64x64 TM4 Van der Waals
Proenkephalin-A G162 ECL2 Van der Waals
Proenkephalin-A S170 5.33x33 TM5 Van der Waals
Proenkephalin-A S170 5.33x33 TM5 polar (hydrogen bond)
Proenkephalin-A D177 5.40x40 TM5 polar (charge-assisted hydrogen bond)
CHEMBL5177388 F232 6.51x51 TM6 Van der Waals
CHEMBL5177388 F236 6.55x55 TM6 Van der Waals
Proenkephalin-A F236 6.55x55 TM6 Van der Waals
CHEMBL5177388 F236 6.55x55 TM6 hydrophobic
Proenkephalin-A F236 6.55x55 TM6 hydrophobic
Proenkephalin-A L240 6.59x59 TM6 Van der Waals
Proenkephalin-A L240 6.59x59 TM6 polar (hydrogen bond with backbone)
Proenkephalin-A W241 6.60x60 TM6 aromatic (face-to-edge)
Proenkephalin-A W241 6.60x60 TM6 Van der Waals
Proenkephalin-A H243 ECL3 Van der Waals
Proenkephalin-A R246 ECL3 Van der Waals
Proenkephalin-A F250 7.31x30 TM7 Van der Waals
Proenkephalin-A F250 7.31x30 TM7 hydrophobic
Proenkephalin-A H254 7.35x34 TM7 Van der Waals
CHEMBL5177388 H254 7.35x34 TM7 polar (hydrogen bond)
CHEMBL5177388 H254 7.35x34 TM7 Van der Waals
CHEMBL5177388 L255 7.36x35 TM7 Van der Waals
CHEMBL5177388 I258 7.39x38 TM7 hydrophobic
CHEMBL5177388 I258 7.39x38 TM7 Van der Waals

Ligands

CHEMBL5177388

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Proenkephalin-A

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Residue Diagrams

A N G T L G V L S V I C T L V T L S L T 1 L N L A A A D F L F L S G R L I Y S L L 2 A S L F S L G A F Y S F M M V P Y L I K 3 S A V V C V L L W A L S L L R S I L E W 4 S S G C L V V C L F I L W A V T I F D S 5 L L T V L V F L L C G L P F G I Q F F L 6 I P N A S S N L A S L F I S V L H V H 7
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ICL1 R R ICL1ECL1 S I P H T ECL1ICL2 P I W Y R C H R ICL2ECL2 G F L F S G A ECL2ICL3 G S R K I ICL3ECL3 V D R E V ECL3N-term M D P T I S T L D T E L T P I N G T E E T L C Y K N-termC-term Q R Q N R Q N L K L V L Q R A L Q D A S E V D E G G G Q L P E E I L E L S G S R L E Q C-term Q T L S L T V L T C I V S L V G L T G N A V V L W L L G C R M N A F S I Y I L N L A A A D F L F L S G R L I Y S L L S F I I S K I L Y P V M M F S Y F A G L S F L S A V S T E R C L S V L W P T H L S A V V C V L L W A L S L L R S I L E W M L C D S A W C Q T S D F I T V A W L I F L C V V L C G S S L V L L I R I L C P L T R L Y V T I L L T V L V F L L C G L P F G I Q F F L F L W I H L F C H V H L V S I F L S A L N S S A N P I I Y F F V G S F R
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Residue Table


GPCRdb(A)
GPCRdb(A)
MRGPRX1
TM2
2x57 2.57x57 R79
2x60 2.60x60 Y82
2x61 2.61x61 S83
TM3
3x28 3.28x28 L98
3x29 3.29x29 Y99
3x30 3.30x30 P100
3x32 3.32x32 M102
TM4
4x60 4.60x60 E157
4x61 4.61x61 W158
4x64 4.64x64 C161
TM5
5x33 5.33x33 S170
5x40 5.40x40 D177
TM6
6x51 6.51x51 F232
6x55 6.55x55 F236
6x59 6.59x59 L240
6x60 6.60x60 W241
TM7
7x30 7.31x30 F250
7x34 7.35x34 H254
7x35 7.36x35 L255
7x38 7.39x38 I258