› 6qff

X-ray diffraction
1.64Å resolution

Crystal Structure of Human Kallikrein 6 in complex with GSK144

Released:
DOI: 10.2210/pdb6qff/pdb
PDB entry 6qff coloured by chain, front view.
PDB entry 6qff coloured by chain, side view.
PDB entry 6qff 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:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-187789 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Kallikrein-6 Chains: A, B
Molecule details ›
Chains: A, B
Length: 222 amino acids
Theoretical weight: 24.29 KDa
Source organism: Homo sapiens
Expression system: Baculovirus expression vector pFastBac1-HM
UniProt:
  • Canonical: Q92876 (Residues: 22-243; Coverage: 97%)
Gene names: KLK6, PRSS18, PRSS9
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand J08 2 x J08
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 58.58Å b: 45.79Å c: 89.87Å
α: 90° β: 93.99° γ: 90°
R-values:
R R work R free
0.188 0.186 0.214
Expression system: Baculovirus expression vector pFastBac1-HM

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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)