› 5tjx

X-ray diffraction
1.41Å resolution

Structure of human plasma kallikrein

Released:
DOI: 10.2210/pdb5tjx/pdb
PDB entry 5tjx coloured by chain, front view.
PDB entry 5tjx coloured by chain, side view.
PDB entry 5tjx coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-Guided Design of Novel, Potent, and Selective Macrocyclic Plasma Kallikrein Inhibitors.
Li Z, Partridge J, Silva-Garcia A, Rademacher P, Betz A, Xu Q, Sham H, Hu Y, Shan Y, Liu B, Zhang Y, Shi H, Xu Q, Ma X, Zhang L
ACS Med Chem Lett 8 185-190 (2017)
PMID: 28197309

Function and Biology Details

Reaction catalysed: 
Cleaves selectively Arg-|-Xaa and Lys-|-Xaa bonds, including Lys-|-Arg and Arg-|-Ser bonds in (human) kininogen to release bradykinin.
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137291 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Plasma kallikrein light chain Chain: A
Molecule details ›
Chain: A
Length: 263 amino acids
Theoretical weight: 29.43 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: P03952 (Residues: 376-638; Coverage: 43%)
Gene names: KLK3, KLKB1
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand GBT 1 x GBT
Ligand PO4 2 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 55.66Å b: 59.62Å c: 77.11Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.163 0.163 0.184
Expression system: Spodoptera frugiperda

Quick links

Citations

2 review citations

Serine protease inhibitors to treat inflammation: a patent review (2011-2016).
Soualmia et al. (2018)
1 more

11 mentions without citation

The discovery and development of transmembrane serine protease 2 (TMPRSS2) inhibitors as candidate drugs for the treatment of COVID-19.
Mantzourani et al. (2022)
10 more