› 4u6s

X-ray diffraction
2.1Å resolution

CtBP1 in complex with substrate phenylpyruvate

Released:
DOI: 10.2210/pdb4u6s/pdb
PDB entry 4u6s coloured by chain, front view.
PDB entry 4u6s coloured by chain, side view.
PDB entry 4u6s coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structure-guided design of a high affinity inhibitor to human CtBP.
Hilbert BJ, Morris BL, Ellis KC, Paulsen JL, Schiffer CA, Grossman SR, Royer WE
ACS Chem Biol 10 1118-27 (2015)
PMID: 25636004

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assemblies composition:
homo dimer (preferred)
homo tetramer
Assembly name:
PDBe Complex ID:
PDB-CPX-171656 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
C-terminal-binding protein 1 Chain: A
Molecule details ›
Chain: A
Length: 347 amino acids
Theoretical weight: 38.14 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q13363 (Residues: 28-353; Coverage: 74%)
Gene names: CTBP, CTBP1
Sequence domains:
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments

4 bound ligands:
Ligand NAD 1 x NAD
Ligand PPY 1 x PPY
Ligand CA 1 x CA
Ligand FMT 1 x FMT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P6422
Unit cell:
a: 84.121Å b: 84.121Å c: 158.753Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.184 0.182 0.23
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 review citations

CtBP- an emerging oncogene and novel small molecule drug target: Advances in the understanding of its oncogenic action and identification of therapeutic inhibitors.
Dcona et al. (2017)
2 more

3 mentions without citation

Structure-guided design of a high affinity inhibitor to human CtBP.
Hilbert et al. (2015)
2 more