› 6spj

X-ray diffraction
1.97Å resolution

A4V MUTANT OF HUMAN SOD1 WITH EBSELEN DERIVATIVE 1

Released:
DOI: 10.2210/pdb6spj/pdb
PDB entry 6spj coloured by chain, front view.
PDB entry 6spj coloured by chain, side view.
PDB entry 6spj coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Chantadul V, Wright GSA, Amporndanai K, Shahid M, Antonyuk SV, Washbourn G, Rogers M, Roberts N, Pye M, O'Neill PM, Hasnain SS
Commun Biol 3 97 (2020)
PMID: 32139772

Function and Biology Details

Reaction catalysed: 
2 superoxide + 2 H(+) = O(2) + H(2)O(2)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132494 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Superoxide dismutase [Cu-Zn] Chains: A, B, E, F, I, J
Molecule details ›
Chains: A, B, E, F, I, J
Length: 153 amino acids
Theoretical weight: 15.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00441 (Residues: 2-154; Coverage: 99%)
Gene name: SOD1
Sequence domains: Copper/zinc superoxide dismutase (SODC)

Ligands and Environments

6 bound ligands:
Ligand ZN 12 x ZN
Ligand LR2 6 x LR2
Ligand SO4 30 x SO4
Ligand GOL 6 x GOL
Ligand DMS 9 x DMS
Ligand CL 6 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 112.506Å b: 194.658Å c: 75.169Å
α: 90° β: 96.97° γ: 90°
R-values:
R R work R free
0.185 0.182 0.225
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Ebselen and Analogues: Pharmacological Properties and Synthetic Strategies for Their Preparation.
Santi et al. (2021)
3 more

1 mention without citation

Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy.
Chantadul et al. (2020)