› 3cr2

X-ray diffraction
1.88Å resolution

X-ray structure of bovine Zn(2+),Ca(2+)-S100B

Released:
DOI: 10.2210/pdb3cr2/pdb
PDB entry 3cr2 coloured by chain, front view.
PDB entry 3cr2 coloured by chain, side view.
PDB entry 3cr2 coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Divalent metal ion complexes of S100B in the absence and presence of pentamidine.
Charpentier TH, Wilder PT, Liriano MA, Varney KM, Pozharski E, MacKerell AD, Coop A, Toth EA, Weber DJ
J Mol Biol 382 56-73 (2008)
PMID: 18602402

Function and Biology Details

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

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-135973 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein S100-B Chain: A
Molecule details ›
Chain: A
Length: 92 amino acids
Theoretical weight: 10.68 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P02638 (Residues: 1-92; Coverage: 100%)
Gene name: S100B
Sequence domains:
Structure domains: EF-hand

Ligands and Environments

2 bound ligands:
Ligand CA 2 x CA
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: C2221
Unit cell:
a: 34.587Å b: 90.476Å c: 58.301Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.221 0.219 0.268
Expression system: Escherichia coli

Quick links

Citations

7 review citations

S100 proteins in cancer.
Bresnick et al. (2015)
6 more

5 mentions without citation

Both Ca2+ and Zn2+ are essential for S100A12 protein oligomerization and function.
Moroz et al. (2009)
4 more