› 7xx3

X-ray diffraction
1.9Å resolution

Crystal structure of human Superoxide Dismutase (SOD1) in complex with a fungal metabolite molecule, Phialomustin B (PB)

Released:
DOI: 10.2210/pdb7xx3/pdb
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PDB entry 7xx3 coloured by chain, front view.
PDB entry 7xx3 coloured by chain, side view.
PDB entry 7xx3 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural insights into the modulation Of SOD1 aggregation By a fungal metabolite Phialomustin-B: Therapeutic potential in ALS.
Unni S, Kommu P, Aouti S, Nalli Y, Bharath MMS, Ali A, Padmanabhan B
PLoS One 19 e0298196 (2024)
PMID: 38446760

Function and Biology Details

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

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
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 5 x GOL
Ligand I2G 4 x I2G
Ligand DMS 1 x DMS
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID30B
Spacegroup: P6322
Unit cell:
a: 242.445Å b: 242.445Å c: 144.491Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.2 0.198 0.23
Expression system: Escherichia coli

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Citations

1 citations in other articles

Discovery of Novel Inhibitors against ALS-Related SOD1(A4V) Aggregation through the Screening of a Chemical Library Using Differential Scanning Fluorimetry (DSF).
Giannakou et al. (2024)

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