› 6qfe

X-ray diffraction
1.67Å resolution

Crystal Structure of Human Kallikrein 5 in complex with GSK144

Released:
DOI: 10.2210/pdb6qfe/pdb
PDB entry 6qfe coloured by chain, front view.
PDB entry 6qfe coloured by chain, side view.
PDB entry 6qfe coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Thorpe JH, Edgar EV, Smith KJ, Lewell XQ, Rella M, White GV, Polyakova O, Nassau P, Walker AL, Holmes DS, Pearce AC, Wang Y, Liddle J, Hovnanian A
Acta Crystallogr F Struct Biol Commun 75 385-391 (2019)
PMID: 31045568

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-195179 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (2 distinct):
Kallikrein-5 Chains: A, B
Molecule details ›
Chains: A, B
Length: 227 amino acids
Theoretical weight: 25.19 KDa
Source organism: Homo sapiens
Expression system: unidentified baculovirus
UniProt:
  • Canonical: Q9Y337 (Residues: 67-293; Coverage: 84%)
Gene names: KLK5, SCTE, UNQ570/PRO1132
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
3 bound ligands:
Ligand NAG 2 x NAG
Ligand NA 2 x NA
Ligand J08 2 x J08
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: C2
Unit cell:
a: 126.916Å b: 83.84Å c: 62.714Å
α: 90° β: 116.23° γ: 90°
R-values:
R R work R free
0.213 0.211 0.242
Expression system: unidentified baculovirus

Quick links

Citations

1 mention without citation

Evaluation of a crystallographic surrogate for kallikrein 5 in the discovery of novel inhibitors for Netherton syndrome.
Thorpe et al. (2019)