› 5yjm

X-ray diffraction
1.9Å resolution

Human chymase in complex with 7-oxo-3-(phenoxyimino)-1,4-diazepane derivative

Released:
DOI: 10.2210/pdb5yjm/pdb
PDB entry 5yjm coloured by chain, front view.
PDB entry 5yjm coloured by chain, side view.
PDB entry 5yjm coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-based design, synthesis, and binding mode analysis of novel and potent chymase inhibitors.
Futamura-Takahashi J, Tanaka T, Sugawara H, Iwashita S, Imajo S, Oyama Y, Muto T
Bioorg Med Chem Lett 28 188-192 (2018)
PMID: 29191554

Function and Biology Details

Reaction catalysed: 
Preferential cleavage: Phe-|- > Tyr-|- > Trp-|- > Leu-|-.
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-150125 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Chymase Chain: A
Molecule details ›
Chain: A
Length: 226 amino acids
Theoretical weight: 25.03 KDa
Source organism: Homo sapiens
Expression system: Komagataella pastoris
UniProt:
  • Canonical: P23946 (Residues: 22-247; Coverage: 99%)
Gene names: CMA1, CYH, CYM
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

3 bound ligands:
Ligand NAG 2 x NAG
Ligand ZN 1 x ZN
Ligand 8W3 1 x 8W3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-002
Spacegroup: P43
Unit cell:
a: 75.089Å b: 75.089Å c: 49.75Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.149 0.147 0.186
Expression system: Komagataella pastoris

Quick links

Citations

1 review citation

Digestive Inflammation: Role of Proteolytic Dysregulation.
Mariaule et al. (2021)
1 other article