› 7z53

X-ray diffraction
2.28Å resolution

Structure of native leukocyte myeloperoxidase in complex with a truncated version (SPIN truncated) of the Staphyloccal Peroxidase Inhibitor SPIN from Staphylococcus aureus

Released:
DOI: 10.2210/pdb7z53/pdb
PDB entry 7z53 coloured by chain, front view.
PDB entry 7z53 coloured by chain, side view.
PDB entry 7z53 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 hexamer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-217271 (preferred)
Entry contents:
3 distinct polypeptide molecules
Macromolecules (9 distinct):
Myeloperoxidase light chain Chains: A, C, G, I, M, O, S, U
Molecule details ›
Chains: A, C, G, I, M, O, S, U
Length: 106 amino acids
Theoretical weight: 12.08 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P05164 (Residues: 166-271; Coverage: 15%)
Gene name: MPO
Myeloperoxidase heavy chain Chains: B, D, H, J, N, P, T, V
Molecule details ›
Chains: B, D, H, J, N, P, T, V
Length: 466 amino acids
Theoretical weight: 53.23 KDa
Source organism: Homo sapiens
UniProt:
  • Canonical: P05164 (Residues: 279-744; Coverage: 67%)
Gene name: MPO
Sequence domains: Animal haem peroxidase
Myeloperoxidase inhibitor SPIN Chains: E, F, K, L, Q, R, W, X
Molecule details ›
Chains: E, F, K, L, Q, R, W, X
Length: 59 amino acids
Theoretical weight: 6.79 KDa
Source organism: Staphylococcus aureus
Expression system: Escherichia coli
UniProt:
  • Canonical: Q2G0X2 (Residues: 43-101; Coverage: 58%)
Gene name: SAOUHSC_00401

Ligands and Environments


Cofactor: Ligand HEC 8 x HEC
Carbohydrate polymer : NEW Components: NAG, BMA
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN, FUC
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
Carbohydrate polymer : NEW Components: NAG, BMA, MAN
Carbohydrate polymer
6 bound ligands:
Ligand CL 8 x CL
Ligand CA 8 x CA
Ligand EDO 1 x EDO
Ligand NAG 4 x NAG
Ligand ACT 1 x ACT
Ligand OXL 1 x OXL
1 modified residue:
Ligand CSO 8 x CSO

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P21212
Unit cell:
a: 257.022Å b: 157.196Å c: 166.56Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.177 0.174 0.229
Expression system: Escherichia coli

Quick links

Citations

2 mentions without citation

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