› 5ndd

X-ray diffraction
2.8Å resolution

Crystal structure of a thermostabilised human protease-activated receptor-2 (PAR2) in complex with AZ8838 at 2.8 angstrom resolution

Released:
DOI: 10.2210/pdb5ndd/pdb
PDB entry 5ndd coloured by chain, front view.
PDB entry 5ndd coloured by chain, side view.
PDB entry 5ndd coloured by chain, top view.
Source organisms:
Primary publication:
Structural insight into allosteric modulation of protease-activated receptor 2.
Cheng RKY, Fiez-Vandal C, Schlenker O, Edman K, Aggeler B, Brown DG, Brown GA, Cooke RM, Dumelin CE, Doré AS, Geschwindner S, Grebner C, Hermansson NO, Jazayeri A, Johansson P, Leong L, Prihandoko R, Rappas M, Soutter H, Snijder A, Sundström L, Tehan B, Thornton P, Troast D, Wiggin G, Zhukov A, Marshall FH, Dekker N
Nature 545 112-115 (2017)
PMID: 28445455

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-132959 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Endolysin; Proteinase-activated receptor 2, alternate cleaved 2; Soluble cytochrome b562 Chain: A
Molecule details ›
Chain: A
Length: 619 amino acids
Theoretical weight: 69.56 KDa
Source organisms: Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P00720 (Residues: 2-161; Coverage: 98%)
  • Canonical: P55085 (Residues: 59-269, 276-377; Coverage: 84%)
  • Canonical: P0ABE7 (Residues: 23-127; Coverage: 99%)
Gene names: E, F2RL1, GPR11, PAR2, cybC
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand 8TZ 1 x 8TZ
Ligand NA 1 x NA
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I24
Spacegroup: P1
Unit cell:
a: 37.109Å b: 62.264Å c: 87.341Å
α: 104.88° β: 90.88° γ: 96.89°
R-values:
R R work R free
0.224 0.222 0.264
Expression system: Spodoptera frugiperda

Quick links

Citations

33 review citations

Protease-activated receptors (PARs): mechanisms of action and potential therapeutic modulators in PAR-driven inflammatory diseases.
Heuberger et al. (2019)
32 more

27 mentions without citation

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