PDB entry 3kag

View 3kag on RCSB PDB site
Description: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors
Class: isomerase
Keywords: SBDD, PPIASE, ISOMERASE, ROTAMASE, SMALL MOLECULE, Proline directed kinase, cell cycle, Oncogenic transformation, Nucleus, Phosphoprotein
Deposited on 2009-10-19, released 2009-12-22
The last revision prior to the SCOPe 2.06 freeze date was dated 2010-01-05, with a file datestamp of 2009-12-31.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.205
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
    Species: Homo sapiens [TaxId:9606]
    Gene: PIN1
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q13526 (Start-166)
      • engineered (17)
    Domains in SCOPe 2.06: d3kaga1, d3kaga2
  • Heterogens: 4D7, 12P, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3kagA (A:)

    Sequence, based on observed residues (ATOM records): (download)
    >3kagA (A:)