› 3gcl

X-ray diffraction
2.5Å resolution

Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid

Released:
DOI: 10.2210/pdb3gcl/pdb
PDB entry 3gcl coloured by chain, front view.
PDB entry 3gcl coloured by chain, side view.
PDB entry 3gcl coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Binding modes of aromatic ligands to mammalian heme peroxidases with associated functional implications: crystal structures of lactoperoxidase complexes with acetylsalicylic acid, salicylhydroxamic acid, and benzylhydroxamic acid.
Singh AK, Singh N, Sinha M, Bhushan A, Kaur P, Srinivasan A, Sharma S, Singh TP
J Biol Chem 284 20311-8 (2009)
PMID: 19465478

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 (3 distinct):
Lactoperoxidase Chain: A
Molecule details ›
Chain: A
Length: 595 amino acids
Theoretical weight: 67.85 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
4 bound ligands:
Ligand CA 1 x CA
Ligand SCN 1 x SCN
Ligand AIN 1 x AIN
Ligand IOD 8 x IOD
1 modified residue:
Ligand SEP 1 x SEP

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P21
Unit cell:
a: 54.66Å b: 80.52Å c: 77.97Å
α: 90° β: 102.65° γ: 90°
R-values:
R R work R free
0.201 0.201 0.223

Quick links

Citations

4 review citations

Mammalian iron homeostasis in health and disease: uptake, storage, transport, and molecular mechanisms of action.
Lawen et al. (2013)
3 more

3 mentions without citation

Binding modes of aromatic ligands to mammalian heme peroxidases with associated functional implications: crystal structures of lactoperoxidase complexes with acetylsalicylic acid, salicylhydroxamic acid, and benzylhydroxamic acid.
Singh et al. (2009)
2 more