› 2kbu

Solution NMR

NMR solution structure of Pin1 WW domain mutant with beta turn mimic at position 12

Released:
DOI: 10.2210/pdb2kbu/pdb
PDB entry 2kbu coloured by chain, ensemble of 15 models, front view.
PDB entry 2kbu coloured by chain, ensemble of 15 models, side view.
PDB entry 2kbu coloured by chain, ensemble of 15 models, top view.
Source organism: Homo sapiens
Primary publication:
Evaluating beta-turn mimics as beta-sheet folding nucleators.
Fuller AA, Du D, Liu F, Davoren JE, Bhabha G, Kroon G, Case DA, Dyson HJ, Powers ET, Wipf P, Gruebele M, Kelly JW
Proc Natl Acad Sci U S A 106 11067-72 (2009)
PMID: 19541614

Function and Biology Details

Reaction catalysed: 
Peptidylproline (omega=180) = peptidylproline (omega=0)
Biochemical function:
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: 31 amino acids
Theoretical weight: 3.73 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: Q13526 (Residues: 6-39; Coverage: 19%)
Gene name: PIN1
Sequence domains: WW domain

Ligands and Environments

No bound ligands
No modified residues

Experiments and Validation Details

Entry percentile scores
Refinement method: simulated annealing
Expression system: Not provided

Quick links

Citations

7 review citations

Peptide therapeutics: targeting the undruggable space.
Tsomaia N. (2015)
6 more

2 mentions without citation

Analysis of folded structure and folding thermodynamics in heterogeneous-backbone proteomimetics.
Santhouse et al. (2021)
1 more