› 5yto

X-ray diffraction
1.9Å resolution

Crystal Structure of human Superoxide Dismutase I (hSOD1) in complex with a napthalene-catechol linked compound.

Released:
DOI: 10.2210/pdb5yto/pdb
PDB entry 5yto coloured by chain, front view.
PDB entry 5yto coloured by chain, side view.
PDB entry 5yto coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Assessment of ligand binding at a site relevant to SOD1 oxidation and aggregation.
Manjula R, Wright GSA, Strange RW, Padmanabhan B
FEBS Lett 592 1725-1737 (2018)
PMID: 29679384

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, C, D, E, F, G, H, I, J
Molecule details ›
Chains: A, B, C, D, E, F, G, H, I, J
Length: 180 amino acids
Theoretical weight: 19.09 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21
UniProt:
  • Canonical: P00441 (Residues: 1-154; Coverage: 100%)
Gene name: SOD1
Sequence domains: Copper/zinc superoxide dismutase (SODC)

Ligands and Environments

4 bound ligands:
Ligand ZN 9 x ZN
Ligand GOL 3 x GOL
Ligand 946 3 x 946
Ligand PS5 3 x PS5
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE BM14
Spacegroup: P6322
Unit cell:
a: 243.941Å b: 243.941Å c: 144.775Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.181 0.179 0.215
Expression system: Escherichia coli BL21

Quick links

Citations

1 review citation

Small molecules targeting different cellular pathologies for the treatment of amyotrophic lateral sclerosis.
Elmansy et al. (2023)
5 other articles

8 mentions without citation

Copper/Zinc Superoxide Dismutase from the Crocodile Icefish Chionodraco hamatus: Antioxidant Defense at Constant Sub-Zero Temperature.
Chatzidimitriou et al. (2020)
7 more