› 6o21

X-ray diffraction
1.15Å resolution

Crystal Structure of Human KLK4 in Complex With Cleaved SFTI-FCQR(Asn14)[1,14] Inhibitor

Released:
DOI: 10.2210/pdb6o21/pdb
PDB entry 6o21 coloured by chain, front view.
PDB entry 6o21 coloured by chain, side view.
PDB entry 6o21 coloured by chain, top view.
Source organisms:
Primary publication:
KLK4 Inhibition by Cyclic and Acyclic Peptides: Structural and Dynamical Insights into Standard-Mechanism Protease Inhibitors.
Riley BT, Ilyichova O, de Veer SJ, Swedberg JE, Wilson E, Hoke DE, Harris JM, Buckle AM
Biochemistry 58 2524-2533 (2019)
PMID: 31058493

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-167177 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Kallikrein-4 Chain: A
Molecule details ›
Chain: A
Length: 223 amino acids
Theoretical weight: 23.93 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q9Y5K2 (Residues: 31-253; Coverage: 98%)
Gene names: EMSP1, KLK4, PRSS17, PSTS
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases
Trypsin inhibitor 1 Chain: B
Molecule details ›
Chain: B
Length: 14 amino acids
Theoretical weight: 1.58 KDa
Source organism: Helianthus annuus
Expression system: Not provided

Ligands and Environments

2 bound ligands:
Ligand SO4 3 x SO4
Ligand MPD 1 x MPD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Spacegroup: P21
Unit cell:
a: 39.529Å b: 63.145Å c: 40.893Å
α: 90° β: 114.92° γ: 90°
R-values:
R R work R free
0.132 0.13 0.163
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

2 review citations

Bowman-Birk Inhibitors: Insights into Family of Multifunctional Proteins and Peptides with Potential Therapeutical Applications.
Gitlin-Domagalska et al. (2020)
1 more

1 mention without citation

Crystal structure of the inhibitor-free form of the serine protease kallikrein-4.
Riley et al. (2019)