› 6hle

X-ray diffraction
1.99Å resolution

X-ray structure of furin in complex with the P6-P2-cyclized peptide H-Lys-Arg-Arg-Tle-Lys-4-Amba

Released:
DOI: 10.2210/pdb6hle/pdb
PDB entry 6hle coloured by chain, front view.
PDB entry 6hle coloured by chain, side view.
PDB entry 6hle coloured by chain, top view.
Source organisms:
Primary publication:
Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin.
Van Lam van T, Ivanova T, Hardes K, Heindl MR, Morty RE, Böttcher-Friebertshäuser E, Lindberg I, Than ME, Dahms SO, Steinmetzer T
ChemMedChem 14 673-685 (2019)
PMID: 30680958

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
Sequence domains:

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-140852 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Furin Chain: A
Molecule details ›
Chain: A
Length: 482 amino acids
Theoretical weight: 52.39 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:
Structure domains:
LYS-ARG-ARG-TBG-LYS-00S Chain: B
Molecule details ›
Chain: B
Length: 6 amino acids
Theoretical weight: 835 Da
Source organism: synthetic construct
Expression system: Not provided

Ligands and Environments

6 bound ligands:
Ligand CA 3 x CA
Ligand NA 3 x NA
Ligand CL 1 x CL
Ligand PO4 2 x PO4
Ligand DMS 1 x DMS
Ligand GEB 1 x GEB
1 modified residue:
Ligand TBG 1 x TBG

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P6522
Unit cell:
a: 133.095Å b: 133.095Å c: 157.563Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.168 0.167 0.191
Expression systems:
  • Homo sapiens
  • Not provided

Quick links

Citations

4 review citations

The Proteolytic Regulation of Virus Cell Entry by Furin and Other Proprotein Convertases.
Izaguirre G. (2019)
3 more

2 mentions without citation

Why All the Fury over Furin?
Osman et al. (2022)
1 more