› 5zfi

X-ray diffraction
1.8Å resolution

Mouse kallikrein 7 in complex with 6-benzyl-1,4-diazepan-7-one derivative

Released:
DOI: 10.2210/pdb5zfi/pdb
PDB entry 5zfi coloured by chain, front view.
PDB entry 5zfi coloured by chain, side view.
PDB entry 5zfi coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structure-based drug design to overcome species differences in kallikrein 7 inhibition of 1,3,6-trisubstituted 1,4-diazepan-7-ones.
Murafuji H, Sugawara H, Goto M, Oyama Y, Sakai H, Imajo S, Tomoo T, Muto T
Bioorg Med Chem 26 3639-3653 (2018)
PMID: 29884582

Function and Biology Details

Reaction catalysed: 
Cleavage of proteins with aromatic side chains in the P1 position
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187564 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kallikrein-7 Chain: A
Molecule details ›
Chain: A
Length: 224 amino acids
Theoretical weight: 24.64 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q91VE3 (Residues: 26-249; Coverage: 98%)
Gene names: Klk7, Prss6, Scce
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand 9C9 1 x 9C9
Ligand TRS 1 x TRS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P43212
Unit cell:
a: 70.85Å b: 70.85Å c: 98.022Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.188 0.185 0.227
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Ahp-Cyclodepsipeptides as tunable inhibitors of human neutrophil elastase and kallikrein 7: Total synthesis of tutuilamide A, serine protease selectivity profile and comparison with lyngbyastatin 7.
Chen et al. (2020)