› 4xjk

X-ray diffraction
1.76Å resolution

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138505 (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:
Ligand CA 10 x CA
Ligand NA 10 x NA
Ligand MN 5 x MN
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)

Quick links

Citations

11 review citations

Nutritional Immunity: S100 Proteins at the Host-Pathogen Interface.
Zackular et al. (2015)
10 more

17 mentions without citation

Transition Metal Sequestration by the Host-Defense Protein Calprotectin.
Zygiel et al. (2018)
16 more