› 2ips

X-ray diffraction
3.1Å resolution

Crystal structure of a ternary complex of bovine lactoperoxidase with thiocyanate and iodide at 3.1 A resolution

Released:
DOI: 10.2210/pdb2ips/pdb
PDB entry 2ips coloured by chain, front view.
PDB entry 2ips coloured by chain, side view.
PDB entry 2ips coloured by chain, top view.
Source organism: Bos taurus
Entry authors: Singh AK, Singh N, Sharma S, Singh TP

Function and Biology Details

Reaction catalysed: 
2 phenolic donor + H(2)O(2) = 2 phenoxyl radical of the donor + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-160329 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecules (4 distinct):
Lactoperoxidase Chain: A
Molecule details ›
Chain: A
Length: 595 amino acids
Theoretical weight: 67.77 KDa
Source organism: Bos taurus
UniProt:
  • Canonical: P80025 (Residues: 118-712; Coverage: 86%)
Gene name: LPO
Sequence domains: Animal haem peroxidase
Structure domains: Haem peroxidase domain superfamily, animal type

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
Carbohydrate polymer : NEW Components: NAG, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, NDG
Carbohydrate polymer
4 bound ligands:
Ligand CA 1 x CA
Ligand SCN 1 x SCN
Ligand CO3 1 x CO3
Ligand IOD 6 x IOD
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P21
Unit cell:
a: 55.54Å b: 80.59Å c: 77.92Å
α: 90° β: 102.69° γ: 90°
R-values:
R R work R free
0.201 0.193 0.235

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