› 3lk1

X-ray diffraction
1.79Å resolution

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

Released:
DOI: 10.2210/pdb3lk1/pdb
PDB 3lk1 coloured by chain and viewed from the front.
PDB 3lk1 coloured by chain and viewed from the side.
PDB 3lk1 coloured by chain and viewed from the top.
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

Assembly composition:
homo dimer (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein S100-B Chain: A
Molecule details ›
Chain: A
Length: 90 amino acids
Theoretical weight: 10.41 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P02638 (Residues: 1-90; Coverage: 98%)
Gene name: S100B
Sequence domains:
Structure domains: EF-hand

Ligands and Environments

3 bound ligands:
Ligand CA 2 x CA
Ligand EMC 1 x EMC
Ligand JKE 1 x JKE
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: C2221
Unit cell:
a: 35.194Å b: 88.792Å c: 58.996Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.198 0.196 0.242
Expression system: Escherichia coli

Quick links

Citations

4 review citations

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

4 mentions without citation

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