› 6skc

X-ray diffraction
2.18Å resolution

Crystal Structure of Human Kallikrein 6 (I218Y) in complex with GSK3448330A

Released:
DOI: 10.2210/pdb6skc/pdb
PDB entry 6skc coloured by chain, front view.
PDB entry 6skc coloured by chain, side view.
PDB entry 6skc coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Design and development of a series of borocycles as selective, covalent kallikrein 5 inhibitors.
Walker AL, Denis A, Bingham RP, Bouillot A, Edgar EV, Ferrie A, Holmes DS, Laroze A, Liddle J, Fouchet MH, Moquette A, Nassau P, Pearce AC, Polyakova O, Smith KJ, Thomas P, Thorpe JH, Trottet L, Wang Y, Hovnanian A
Bioorg Med Chem Lett 29 126675 (2019)
PMID: 31521475

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: 223 amino acids
Theoretical weight: 24.47 KDa
Source organism: Homo sapiens
Expression system: Baculovirus expression vector pFastBac1-HM
UniProt:
  • Canonical: Q92876 (Residues: 22-244; Coverage: 98%)
Gene names: KLK6, PRSS18, PRSS9
Sequence domains: Trypsin

Ligands and Environments

3 bound ligands:
Ligand LH8 1 x LH8
Ligand BEN 1 x BEN
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04
Spacegroup: P21
Unit cell:
a: 58.08Å b: 46.08Å c: 80.96Å
α: 90° β: 98.71° γ: 90°
R-values:
R R work R free
0.19 0.188 0.241
Expression system: Baculovirus expression vector pFastBac1-HM

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Citations

1 citations in other articles

Advancing novel therapies for ichthyoses.
Schmuth et al. (2021)