› 8b4v

X-ray diffraction
1.6Å resolution

X-ray structure of furin (PCSK3) in complex with benzamidine

Released:
DOI: 10.2210/pdb8b4v/pdb
PDB entry 8b4v coloured by chain, front view.
PDB entry 8b4v coloured by chain, side view.
PDB entry 8b4v coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Fragment-Based Design, Synthesis, and Characterization of Aminoisoindole-Derived Furin Inhibitors.
Lange RW, Bloch K, Heindl MR, Wollenhaupt J, Weiss MS, Brandstetter H, Klebe G, Falcone FH, Böttcher-Friebertshäuser E, Dahms SO, Steinmetzer T
ChemMedChem e202400057 (2024)
PMID: 38385828

Function and Biology Details

Reaction catalysed: 
Release of mature proteins from their proproteins by cleavage of -Arg-Xaa-Yaa-Arg-|- bonds, where Xaa can be any amino acid and Yaa is Arg or Lys. Releases albumin, complement component C3 and von Willebrand factor from their respective precursors.
Biochemical function:
Biological process:
Cellular component:
  • not assigned

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140840 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Furin Chain: A
Molecule details ›
Chain: A
Length: 480 amino acids
Theoretical weight: 52.11 KDa
Source organism: Homo sapiens
Expression system: Homo sapiens
UniProt:
  • Canonical: P09958 (Residues: 108-574; Coverage: 61%)
Gene names: FUR, FURIN, PACE, PCSK3
Sequence domains:

Ligands and Environments

6 bound ligands:
Ligand BEN 2 x BEN
Ligand CA 3 x CA
Ligand NA 3 x NA
Ligand CL 1 x CL
Ligand DMS 2 x DMS
Ligand NAG 1 x NAG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.2
Spacegroup: P6522
Unit cell:
a: 131.952Å b: 131.952Å c: 155.351Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.154 0.154 0.166
Expression system: Homo sapiens

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