› 4gwt

X-ray diffraction
2.25Å resolution

Structure of racemic Pin1 WW domain cocrystallized with DL-malic acid

Released:
DOI: 10.2210/pdb4gwt/pdb
PDB entry 4gwt coloured by chain, front view.
PDB entry 4gwt coloured by chain, side view.
PDB entry 4gwt coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Evidence for small-molecule-mediated loop stabilization in the structure of the isolated Pin1 WW domain.
Mortenson DE, Kreitler DF, Yun HG, Gellman SH, Forest KT
Acta Crystallogr D Biol Crystallogr 69 2506-12 (2013)
PMID: 24311591

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
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-171737 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 Chain: A
Molecule details ›
Chain: A
Length: 36 amino acids
Theoretical weight: 4.17 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q13526 (Residues: 6-39; Coverage: 21%)
Gene name: PIN1
Sequence domains: WW domain

Ligands and Environments

1 bound ligand:
Ligand LMR 1 x LMR
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: BRUKER AXS MICROSTAR
Spacegroup: I41/a
Unit cell:
a: 65.985Å b: 65.985Å c: 38.599Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.239 0.238 0.26
Expression system: Not provided

Quick links

Citations

4 citation in other articles

Evidence for phenylalanine zipper-mediated dimerization in the X-ray crystal structure of a magainin 2 analogue.
Hayouka et al. (2013)
3 more

2 mentions without citation

Evaluation of β-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure.
Mortenson et al. (2018)
1 more