› 7qzr

X-ray diffraction
2.18Å resolution

Structure of native leukocyte myeloperoxidase in complex with the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus

Released:
DOI: 10.2210/pdb7qzr/pdb
PDB entry 7qzr coloured by chain, front view.
PDB entry 7qzr coloured by chain, side view.
PDB entry 7qzr coloured by chain, top view.
Source organisms:
Primary publication:
The staphylococcal inhibitory protein SPIN binds to human myeloperoxidase with picomolar affinity but only dampens halide oxidation.
Leitgeb U, Furtmüller PG, Hofbauer S, Brito JA, Obinger C, Pfanzagl V
J Biol Chem 102514 (2022)
PMID: 36150500

Function and Biology Details

Reaction catalysed: 
Cl(-) + H(2)O(2) + H(+) = HClO + H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
hetero trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-219224 (preferred)
Entry contents:
4 distinct polypeptide molecules
Macromolecules (6 distinct):
Myeloperoxidase light chain Chains: A, C
Molecule details ›
Chains: A, C
Length: 114 amino acids
Theoretical weight: 12.89 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P05164 (Residues: 165-278; Coverage: 16%)
Gene name: MPO
Myeloperoxidase heavy chain Chain: B
Molecule details ›
Chain: B
Length: 467 amino acids
Theoretical weight: 53.34 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P05164 (Residues: 279-745; Coverage: 67%)
Gene name: MPO
Sequence domains: Animal haem peroxidase
Myeloperoxidase heavy chain Chain: D
Molecule details ›
Chain: D
Length: 467 amino acids
Theoretical weight: 53.34 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P05164 (Residues: 279-745; Coverage: 67%)
Gene name: MPO
Sequence domains: Animal haem peroxidase
Myeloperoxidase inhibitor SPIN Chains: E, F
Molecule details ›
Chains: E, F
Length: 102 amino acids
Theoretical weight: 11.32 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q2G0X2 (Residues: 1-102; Coverage: 100%)
Gene name: SAOUHSC_00401

Ligands and Environments


Cofactor: Ligand HEC 2 x HEC
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN, FUC
Carbohydrate polymer
5 bound ligands:
Ligand EDO 4 x EDO
Ligand CL 2 x CL
Ligand CA 2 x CA
Ligand PO4 1 x PO4
Ligand PEG 1 x PEG
3 modified residues:
Ligand 2CO 1 x 2CO
Ligand CSO 1 x CSO
Ligand I7F 1 x I7F

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P43212
Unit cell:
a: 112.085Å b: 112.085Å c: 249.949Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.204 0.244
Expression system: Escherichia coli

Quick links

Citations

1 citations in other articles

Posttranslational modification and heme cavity architecture of human eosinophil peroxidase-insights from first crystal structure and biochemical characterization.
Pfanzagl et al. (2023)

1 mention without citation

The staphylococcal inhibitory protein SPIN binds to human myeloperoxidase with picomolar affinity but only dampens halide oxidation.
Leitgeb et al. (2022)