› 5xpi

X-ray diffraction
2.2Å resolution

Structure of UHRF1 TTD in complex with NV01

Released:
DOI: 10.2210/pdb5xpi/pdb
PDB entry 5xpi coloured by chain, front view.
PDB entry 5xpi coloured by chain, side view.
PDB entry 5xpi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Discovery of Small-Molecule Antagonists of the H3K9me3 Binding to UHRF1 Tandem Tudor Domain.
Senisterra G, Zhu HY, Luo X, Zhang H, Xun G, Lu C, Xiao W, Hajian T, Loppnau P, Chau I, Li F, Allali-Hassani A, Atadja P, Oyang C, Li E, Brown PJ, Arrowsmith CH, Zhao K, Yu Z, Vedadi M
SLAS Discov 23 930-940 (2018)
PMID: 29562800

Function and Biology Details

Reaction catalysed: 
S-ubiquitinyl-[E2 ubiquitin-conjugating enzyme]-L-cysteine + [acceptor protein]-L-lysine = [E2 ubiquitin-conjugating enzyme]-L-cysteine + N(6)-ubiquitinyl-[acceptor protein]-L-lysine
Biochemical function:
  • not assigned
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-188767 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
E3 ubiquitin-protein ligase UHRF1 Chain: A
Molecule details ›
Chain: A
Length: 157 amino acids
Theoretical weight: 18.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q96T88 (Residues: 127-283; Coverage: 20%)
Gene names: ICBP90, NP95, RNF106, UHRF1
Sequence domains: Tandem tudor domain within UHRF1
Structure domains: SH3 type barrels.

Ligands and Environments

1 bound ligand:
Ligand 8C3 1 x 8C3
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P62
Unit cell:
a: 99.001Å b: 99.001Å c: 41.315Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.201 0.2 0.219
Expression system: Escherichia coli

Quick links

Citations

4 review citations

The interplay between DNA and histone methylation: molecular mechanisms and disease implications.
Li et al. (2021)
3 more

1 mention without citation

The Potential Role of Nigella sativa Seed Oil as Epigenetic Therapy of Cancer.
Alsanosi et al. (2022)