› 3d0y

X-ray diffraction
1.5Å resolution

Crystal Structure of S100B in the Calcium and Zinc Loaded State at pH 6.5

Released:
DOI: 10.2210/pdb3d0y/pdb
PDB entry 3d0y coloured by chain, front view.
PDB entry 3d0y coloured by chain, side view.
PDB entry 3d0y coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The crystal structures of human S100B in the zinc- and calcium-loaded state at three pH values reveal zinc ligand swapping.
Ostendorp T, Diez J, Heizmann CW, Fritz G
Biochim Biophys Acta 1813 1083-91 (2011)
PMID: 20950652

Function and Biology Details

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

Structure analysis Details

Assembly composition:
hetero dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-137550 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Protein S100-B Chain: A
Molecule details ›
Chain: A
Length: 92 amino acids
Theoretical weight: 10.76 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P04271 (Residues: 1-92; Coverage: 100%)
Gene name: S100B
Sequence domains:
Structure domains: EF-hand
Protein S100-B Chain: B
Molecule details ›
Chain: B
Length: 92 amino acids
Theoretical weight: 10.73 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P04271 (Residues: 1-92; Coverage: 100%)
Gene name: S100B
Sequence domains:
Structure domains: EF-hand

Ligands and Environments

3 bound ligands:
Ligand CA 4 x CA
Ligand ZN 2 x ZN
Ligand PG4 1 x PG4
1 modified residue:
Ligand FME 1 x FME

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P21
Unit cell:
a: 34.89Å b: 58.15Å c: 47.66Å
α: 90° β: 111.12° γ: 90°
R-values:
R R work R free
0.208 0.206 0.261
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Functions of S100 proteins.
Donato et al. (2013)
4 more

7 mentions without citation

Binding of transition metals to S100 proteins.
Gilston et al. (2016)
6 more