› 4d8n

X-ray diffraction
1.68Å resolution

Human Kallikrein 6 Inhibitors with a para-Amidobenzylanmine P1 Group Carry a High Binding Efficiency

Released:
DOI: 10.2210/pdb4d8n/pdb
PDB entry 4d8n coloured by chain, front view.
PDB entry 4d8n coloured by chain, side view.
PDB entry 4d8n coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Human kallikrein 6 inhibitors with a para-amidobenzylanmine P1 group identified through virtual screening.
Liang G, Chen X, Aldous S, Pu SF, Mehdi S, Powers E, Xia T, Wang R
Bioorg Med Chem Lett 22 2450-5 (2012)
PMID: 22386244

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 Chain: A
Molecule details ›
Chain: A
Length: 223 amino acids
Theoretical weight: 24.42 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q92876 (Residues: 22-244; Coverage: 98%)
Gene names: KLK6, PRSS18, PRSS9
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

1 bound ligand:
Ligand 0HM 1 x 0HM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RUH3R
Spacegroup: P212121
Unit cell:
a: 43.185Å b: 45.95Å c: 109.077Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.199 0.199 0.208
Expression system: Spodoptera frugiperda

Quick links

Citations

3 review citations

Unleashing the therapeutic potential of human kallikrein-related serine proteases.
Prassas et al. (2015)
2 more

4 mentions without citation

Kallikreins - The melting pot of activity and function.
Kalinska et al. (2016)
3 more