› 3lk0

X-ray diffraction
2.04Å resolution

X-ray structure of bovine SC0067,Ca(2+)-S100B

Released:
DOI: 10.2210/pdb3lk0/pdb
PDB entry 3lk0 coloured by chain, front view.
PDB entry 3lk0 coloured by chain, side view.
PDB entry 3lk0 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

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-135973 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Protein S100-B Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
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

2 bound ligands:
Ligand CA 8 x CA
Ligand Z80 2 x Z80
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007
Spacegroup: P21
Unit cell:
a: 28.607Å b: 59.122Å c: 103.998Å
α: 90° β: 92.52° γ: 90°
R-values:
R R work R free
0.238 0.235 0.291
Expression system: Escherichia coli

Quick links

Citations

5 review citations

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

5 mentions without citation

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