› 3e0p

X-ray diffraction
1.7Å resolution

The X-ray structure of Human Prostasin in complex with a covalent benzoxazole inhibitor

Released:
DOI: 10.2210/pdb3e0p/pdb
PDB entry 3e0p coloured by chain, front view.
PDB entry 3e0p coloured by chain, side view.
PDB entry 3e0p coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of inhibitors of the channel-activating protease prostasin (CAP1/PRSS8) utilizing structure-based design.
Tully DC, Vidal A, Chatterjee AK, Williams JA, Roberts MJ, Petrassi HM, Spraggon G, Bursulaya B, Pacoma R, Shipway A, Schumacher AM, Danahay H, Harris JL
Bioorg Med Chem Lett 18 5895-9 (2008)
PMID: 18752942

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-172540 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Prostasin heavy chain Chain: B
Molecule details ›
Chain: B
Length: 271 amino acids
Theoretical weight: 29.61 KDa
Source organism: Homo sapiens
Expression system: Spodoptera frugiperda
UniProt:
  • Canonical: Q16651 (Residues: 45-305; Coverage: 83%)
Gene name: PRSS8
Sequence domains: Trypsin
Structure domains: Trypsin-like serine proteases

Ligands and Environments

2 bound ligands:
Ligand B3C 1 x B3C
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.3
Spacegroup: P212121
Unit cell:
a: 52.484Å b: 54.24Å c: 83.179Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.179 0.177 0.224
Expression system: Spodoptera frugiperda

Quick links

Citations

7 review citations

Membrane-anchored serine proteases in health and disease.
Antalis et al. (2011)
6 more

1 mention without citation

Structure of human prostasin, a target for the regulation of hypertension.
Rickert et al. (2008)