› 5hlo

X-ray diffraction
2.1Å resolution

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

Released:
DOI: 10.2210/pdb5hlo/pdb
PDB entry 5hlo coloured by chain, front view.
PDB entry 5hlo coloured by chain, side view.
PDB entry 5hlo coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Crystal structure of human S100A8 in complex with zinc and calcium.
Lin H, Andersen GR, Yatime L
BMC Struct Biol 16 8 (2016)
PMID: 27251136

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-138504 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
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)
UniProt:
  • 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

5 bound ligands:
Ligand CA 8 x CA
Ligand ZN 8 x ZN
Ligand CAC 2 x CAC
Ligand CL 8 x CL
Ligand ACT 4 x ACT
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-values:
R R work R free
0.179 0.178 0.197
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Regulation of Three Virulence Strategies of Mycobacterium tuberculosis: A Success Story.
Zondervan et al. (2018)
1 more

5 mentions without citation

S100 Proteins as Novel Therapeutic Targets in Psoriasis and Other Autoimmune Diseases.
Kurpet et al. (2022)
4 more