› 3oob

X-ray diffraction
1.89Å resolution

Structural and functional insights of directly targeting Pin1 by Epigallocatechin-3-gallate

Released:
DOI: 10.2210/pdb3oob/pdb
PDB entry 3oob coloured by chain, front view.
PDB entry 3oob coloured by chain, side view.
PDB entry 3oob coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Epigallocatechin-gallate suppresses tumorigenesis by directly targeting Pin1.
Urusova DV, Shim JH, Kim DJ, Jung SK, Zykova TA, Carper A, Bode AM, Dong Z
Cancer Prev Res (Phila) 4 1366-77 (2011)
PMID: 21750208

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171737 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Chain: A
Molecule details ›
Chain: A
Length: 163 amino acids
Theoretical weight: 18.19 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13526 (Residues: 1-163; Coverage: 100%)
Gene name: PIN1
Sequence domains:
Structure domains:

Ligands and Environments

3 bound ligands:
Ligand SO4 1 x SO4
Ligand PE4 3 x PE4
Ligand KDH 2 x KDH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P3121
Unit cell:
a: 69.409Å b: 69.409Å c: 79.268Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.192 0.19 0.232
Expression system: Escherichia coli

Quick links

Citations

22 review citations

Mechanisms of body weight reduction and metabolic syndrome alleviation by tea.
Yang et al. (2016)
21 more

5 mentions without citation

In Vitro and In Silico Studies of the Molecular Interactions of Epigallocatechin-3-O-gallate (EGCG) with Proteins That Explain the Health Benefits of Green Tea.
Saeki et al. (2018)
4 more