› 6eqw

X-ray diffraction
1.99Å resolution

X-ray structure of the proprotein convertase furin bound with the competitive inhibitor 4-aminomethyl-phenylacetyl-Arg-Val-Arg-Amba

Released:
DOI: 10.2210/pdb6eqw/pdb
PDB entry 6eqw coloured by chain, front view.
PDB entry 6eqw coloured by chain, side view.
PDB entry 6eqw coloured by chain, top view.
Source organisms:
Primary publication:
X-ray Structures of the Proprotein Convertase Furin Bound with Substrate Analogue Inhibitors Reveal Substrate Specificity Determinants beyond the S4 Pocket.
Dahms SO, Hardes K, Steinmetzer T, Than ME
Biochemistry 57 925-934 (2018)
PMID: 29314830

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-140848 (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:
AMA-ARG-TBG-ARG-00S Chain: D
Molecule details ›
Chain: D
Length: 5 amino acids
Theoretical weight: 724 Da
Source organism: synthetic construct
Expression system: synthetic construct

Ligands and Environments

3 bound ligands:
Ligand CA 3 x CA
Ligand NA 4 x NA
Ligand CL 1 x CL
1 modified residue:
Ligand TBG 1 x TBG

Experiments and Validation Details

Entry percentile scores
X-ray source: BESSY BEAMLINE 14.1
Spacegroup: P6522
Unit cell:
a: 131.713Å b: 131.713Å c: 155.393Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.163 0.162 0.184
Expression systems:
  • Homo sapiens
  • synthetic construct

Quick links

Citations

3 review citations

Comprehensive Structural and Molecular Comparison of Spike Proteins of SARS-CoV-2, SARS-CoV and MERS-CoV, and Their Interactions with ACE2.
Hatmal et al. (2020)
2 more

5 mentions without citation

COVID-19: Drug Targets and Potential Treatments.
Gil et al. (2020)
4 more