X-ray diffraction
2.1Å resolution

Crystal structure of calcium and zinc-bound human S100A8 in space group C2221

Source organism: Homo sapiens
Primary publication:
Crystal structure of human S100A8 in complex with zinc and calcium.
BMC Struct. Biol. 16 8 (2016)
PMID: 27251136

Function and Biology Details

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Protein S100-A8 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 94 amino acids
Theoretical weight: 10.92 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
  • Canonical: P05109 (Residues: 2-93; Coverage: 99%)
Gene names: CAGA, CFAG, MRP8, S100A8
Sequence domains: S-100/ICaBP type calcium binding domain
Structure domains: EF-hand

Ligands and Environments

No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I911-3
Spacegroup: C2221
Unit cell:
a: 55.98Å b: 90.03Å c: 196.8Å
α: 90° β: 90° γ: 90°
R R work R free
0.179 0.178 0.197
Expression system: Escherichia coli BL21(DE3)