› 6z4i

X-ray diffraction
1.6Å resolution

A4V mutant of human SOD1 bound with benzyl benzoisoselenazolone derivative 3 in P21 space group

Released:
DOI: 10.2210/pdb6z4i/pdb
Model geometry
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PDB entry 6z4i coloured by chain, front view.
PDB entry 6z4i coloured by chain, side view.
PDB entry 6z4i coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Amporndanai K, Rogers M, Watanabe S, Yamanaka K, O'Neill PM, Hasnain SS
OpenAccess logo EBioMedicine 59 102980 (2020)
PMID: 32862101

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: AAA, FFF
Molecule details ›
Chains: AAA, FFF
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 4 x ZN
Ligand ACT 2 x ACT
Ligand SO4 2 x SO4
Ligand Q85 3 x Q85
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: DIAMOND BEAMLINE I03
Spacegroup: P21
Unit cell:
a: 38.334Å b: 68.26Å c: 50.706Å
α: 90° β: 105.711° γ: 90°
R-values:
R R work R free
0.187 0.186 0.217
Expression system: Escherichia coli BL21(DE3)

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Citations

7 review citations

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

1 mention without citation

Novel Selenium-based compounds with therapeutic potential for SOD1-linked amyotrophic lateral sclerosis.
Amporndanai et al. (2020)

PDB-REDO

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