› 3cr4

X-ray diffraction
2.15Å resolution

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

Released:
DOI: 10.2210/pdb3cr4/pdb
PDB 3cr4 coloured by chain and viewed from the front.
PDB 3cr4 coloured by chain and viewed from the side.
PDB 3cr4 coloured by chain and viewed from the top.
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)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein S100-B Chain: X
Molecule details ›
Chain: X
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 PNT 2 x PNT
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P41212
Unit cell:
a: 63.587Å b: 63.587Å c: 48.248Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.209 0.266
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

7 mentions without citation

S100 proteins as therapeutic targets.
Bresnick AR. (2018)
6 more