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X-ray diffraction
1.76Å resolution

Crystal structure of Mn(II) Ca(II) Na(I) bound calprotectin

Released:

Function and Biology Details

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Protein S100-A8 Chains: A, C, E, G, I
Molecule details ›
Chains: A, C, E, G, I
Length: 93 amino acids
Theoretical weight: 10.84 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P05109 (Residues: 1-93; Coverage: 100%)
Gene names: CAGA, CFAG, MRP8, S100A8
Sequence domains: S-100/ICaBP type calcium binding domain
Structure domains: EF-hand
Protein S100-A9 Chains: B, D, F, H, J
Molecule details ›
Chains: B, D, F, H, J
Length: 114 amino acids
Theoretical weight: 13.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P06702 (Residues: 1-114; Coverage: 100%)
Gene names: CAGB, CFAG, MRP14, S100A9
Sequence domains: S-100/ICaBP type calcium binding domain
Structure domains: EF-hand

Ligands and Environments

3 bound ligands:

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 24-ID-C
Spacegroup: P2
Unit cell:
a: 55.279Å b: 49.239Å c: 218.067Å
α: 90° β: 94.07° γ: 90°
R-values:
R R work R free
0.186 0.185 0.22
Expression system: Escherichia coli BL21(DE3)