› 6sju

X-ray diffraction
1.97Å resolution

Human kallikrein 7 with aromatic coumarinic ester compound 3 covalently bound to H57

Released:
DOI: 10.2210/pdb6sju/pdb
PDB entry 6sju coloured by chain, front view.
PDB entry 6sju coloured by chain, side view.
PDB entry 6sju coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural Studies on the Inhibitory Binding Mode of Aromatic Coumarinic Esters to Human Kallikrein-Related Peptidase 7.
Hanke S, Tindall CA, Pippel J, Ulbricht D, Pirotte B, Reboud-Ravaux M, Heiker JT, Sträter N
J Med Chem 63 5723-5733 (2020)
PMID: 32374603

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-156068 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kallikrein-7 Chains: A, B, C, D, E, F, G, H
Molecule details ›
Chains: A, B, C, D, E, F, G, H
Length: 224 amino acids
Theoretical weight: 24.48 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P49862 (Residues: 30-253; Coverage: 97%)
Gene names: KLK7, PRSS6, SCCE
Sequence domains: Trypsin

Ligands and Environments

4 bound ligands:
Ligand PGE 6 x PGE
Ligand SO4 90 x SO4
Ligand LFW 8 x LFW
Ligand EPE 2 x EPE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P212121
Unit cell:
a: 60.65Å b: 116.95Å c: 291.19Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.175 0.174 0.221
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Trending Topics on Coumarin and Its Derivatives in 2020.
Carneiro et al. (2021)
2 other articles