› 3tdb

X-ray diffraction
2.27Å resolution

Human Pin1 bound to trans peptidomimetic inhibitor

Released:
DOI: 10.2210/pdb3tdb/pdb
PDB entry 3tdb coloured by chain, front view.
PDB entry 3tdb coloured by chain, side view.
PDB entry 3tdb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural and kinetic analysis of prolyl-isomerization/phosphorylation cross-talk in the CTD code.
Zhang M, Wang XJ, Chen X, Bowman ME, Luo Y, Noel JP, Ellington AD, Etzkorn FA, Zhang Y
ACS Chem Biol 7 1462-70 (2012)
PMID: 22670809

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: 158 amino acids
Theoretical weight: 17.61 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: Q13526 (Residues: 6-163; Coverage: 97%)
Gene name: PIN1
Sequence domains:
Structure domains:

Ligands and Environments

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

Experiments and Validation Details

Entry percentile scores
X-ray source: MACSCIENCE
Spacegroup: P3121
Unit cell:
a: 69.273Å b: 69.273Å c: 79.657Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.221 0.217 0.256
Expression system: Escherichia coli

Quick links

Citations

12 review citations

Dynamic phosphorylation patterns of RNA polymerase II CTD during transcription.
Heidemann et al. (2013)
11 more

10 mentions without citation

Roles of Prolyl Isomerases in RNA-Mediated Gene Expression.
Thapar R. (2015)
9 more