› 3lle

X-ray diffraction
1.85Å resolution

X-ray structure of bovine SC0322,Ca(2+)-S100B

Released:
DOI: 10.2210/pdb3lle/pdb
PDB entry 3lle coloured by chain, front view.
PDB entry 3lle coloured by chain, side view.
PDB entry 3lle coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
In vitro screening and structural characterization of inhibitors of the S100B-p53 interaction.
Wilder PT, Charpentier TH, Liriano MA, Gianni K, Varney KM, Pozharski E, Coop A, Toth EA, Mackerell AD, Weber DJ
Int J High Throughput Screen 2010 109-126 (2010)
PMID: 21132089

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-135973 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein S100-B Chains: A, B
Molecule details ›
Chains: A, B
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 4 x CA
Ligand SGE 2 x SGE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: P3221
Unit cell:
a: 46.267Å b: 46.267Å c: 172.413Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.197 0.196 0.231
Expression system: Escherichia coli

Quick links

Citations

5 review citations

Molecular dynamic simulation insights into the normal state and restoration of p53 function.
Fu et al. (2012)
4 more

4 mentions without citation

The evolution of S100B inhibitors for the treatment of malignant melanoma.
Hartman et al. (2013)
3 more