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Crystal structure of extra cellular CU/ZN superoxide dismutase from onchocerca volvulus at 1.5 ångström; insight into novel binding site and new inhibitors

Analyse Crystal structure of extra cellular CU/ZN superoxide dismutase from onchocerca… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5IN2
Type
protein
Length
156 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Extracellular superoxide dismutase [cu-zn]
EC
1.15.1.1
UniProt
Q07449
Ligands
ZN, CU, SO4, CL, AZI

Structure

x-ray diffraction · 1 distinct chain · 8% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExtracellular superoxide dismutase [cu-zn] (EC 1.15.1.1)protein1568% helix, 40% strandQ07449

Ligands and binding sites

  • ZN · Zinc ion · metal · chains A
  • CU · Copper (II) ion · metal · chains A
  • SO4 · Sulfate ion · ion · chains A
  • CL · Chloride ion · ion · chains A
  • AZI · Azide ion · ion · chains A
  • GOL · Glycerol · additive · chains A
  • PGE · Triethylene glycol · additive · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5IN2 · Crystal structure of extra cellular Cu/Zn Superoxide Dismutase from Onchocerca volvulus… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q07449 · AlphaFold monomer V2.0 prediction for extracellular superoxide dismutase [cu-zn] (Q07449) · a predicted model of the same protein · chain A against A, TM-score 0.98

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