› 4ggf

X-ray diffraction
1.6Å resolution

Crystal structure of Mn2+ bound calprotectin

Released:
DOI: 10.2210/pdb4ggf/pdb
PDB entry 4ggf coloured by chain, front view.
PDB entry 4ggf coloured by chain, side view.
PDB entry 4ggf coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Molecular basis for manganese sequestration by calprotectin and roles in the innate immune response to invading bacterial pathogens.
Damo SM, Kehl-Fie TE, Sugitani N, Holt ME, Rathi S, Murphy WJ, Zhang Y, Betz C, Hench L, Fritz G, Skaar EP, Chazin WJ
Proc Natl Acad Sci U S A 110 3841-6 (2013)
PMID: 23431180

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, K, S, U
Molecule details ›
Chains: A, K, S, U
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: C, L, T, V
Molecule details ›
Chains: C, L, T, V
Length: 114 amino acids
Theoretical weight: 13.25 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
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

4 bound ligands:
Ligand CA 12 x CA
Ligand MN 7 x MN
Ligand GOL 6 x GOL
Ligand SO4 3 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 21-ID-F
Spacegroup: P21212
Unit cell:
a: 82.027Å b: 217.002Å c: 53.022Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.178 0.177 0.202
Expression systems:
  • Escherichia coli BL21(DE3)
  • Escherichia coli

Quick links

Citations

58 review citations

S100A8/A9 in Inflammation.
Wang et al. (2018)
57 more

23 mentions without citation

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