› 6spa

X-ray diffraction
1.65Å resolution

A4V MUTANT OF HUMAN SUPEROXIDE DISMUTASE 1 IN C2 SPACE GROUP

Released:
DOI: 10.2210/pdb6spa/pdb
Model geometry
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PDB entry 6spa coloured by chain, front view.
PDB entry 6spa coloured by chain, side view.
PDB entry 6spa 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
OpenAccess logo 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, C, E, G, J, L
Molecule details ›
Chains: A, C, E, G, J, L
Length: 153 amino acids
Theoretical weight: 15.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P00441 (Residues: 2-154; Coverage: 99%)
Gene name: SOD1
Sequence domains: Copper/zinc superoxide dismutase (SODC)

Ligands and Environments

4 bound ligands:
Ligand ZN 6 x ZN
Ligand GOL 12 x GOL
Ligand DMS 3 x DMS
Ligand SO4 1 x SO4
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I04-1
Spacegroup: C2
Unit cell:
a: 112.6Å b: 195.96Å c: 75.68Å
α: 90° β: 97.1° γ: 90°
R-values:
R R work R free
0.17 0.169 0.196
Expression system: Escherichia coli BL21(DE3)

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Citations

5 review citations

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

2 mentions without citation

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

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