› 6j20

X-ray diffraction
2.7Å resolution

Crystal structure of the human NK1 substance P receptor

Released:
DOI: 10.2210/pdb6j20/pdb
PDB entry 6j20 coloured by chain, front view.
PDB entry 6j20 coloured by chain, side view.
PDB entry 6j20 coloured by chain, top view.
Source organisms:
Primary publication:
Human substance P receptor binding mode of the antagonist drug aprepitant by NMR and crystallography.
Chen S, Lu M, Liu D, Yang L, Yi C, Ma L, Zhang H, Liu Q, Frimurer TM, Wang MW, Schwartz TW, Stevens RC, Wu B, Wüthrich K, Zhao Q
Nat Commun 10 638 (2019)
PMID: 30733446

Function and Biology Details

Reaction catalysed: 
Hydrolysis of (1->4)-beta-linkages between N-acetylmuramic acid and N-acetyl-D-glucosamine residues in a peptidoglycan and between N-acetyl-D-glucosamine residues in chitodextrins
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132969 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endolysin; Substance-P receptor Chain: A
Molecule details ›
Chain: A
Length: 441 amino acids
Theoretical weight: 50.48 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P25103 (Residues: 2-228, 237-335; Coverage: 80%)
  • Canonical: P00720 (Residues: 61-161; Coverage: 62%)
Gene names: E, NK1R, TAC1R, TACR1
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand GBQ 1 x GBQ
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SPRING-8 BEAMLINE BL41XU
Spacegroup: P42212
Unit cell:
a: 102.512Å b: 102.512Å c: 156.962Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.234 0.233 0.26
Expression system: Spodoptera frugiperda

Quick links

Citations

8 review citations

Lung innervation in the eye of a cytokine storm: neuroimmune interactions and COVID-19.
De Virgiliis et al. (2020)
7 more

6 mentions without citation

G protein-coupled receptors: structure- and function-based drug discovery.
Yang et al. (2021)
5 more