PDB entry 3odk

View 3odk on RCSB PDB site
Description: Discovery of cell-active phenyl-imidazole Pin1 inhibitors by structure-guided fragment evolution
Class: isomerase
Keywords: SBDD, PPIASE, ISOMERASE, ROTAMASE, SMALL MOLECULE, Proline directed kinase, cell cycle, Oncogenic transformation, Nucleus, Phosphoprotein
Deposited on 2010-08-11, released 2010-10-27
The last revision prior to the SCOPe 2.06 freeze date was dated 2010-11-03, with a file datestamp of 2010-10-29.
Experiment type: XRAY
Resolution: 2.3 Å
R-factor: 0.251
AEROSPACI score: 0.29 (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 mutation (17)
    Domains in SCOPe 2.06: d3odka1, d3odka2
  • Heterogens: PE4, ODK, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3odkA (A:)
    gshgmadeeklppgwekamsrssgrvyyfnhitnasqwerpsgnsssggkngqgeparvr
    cshllvkhsqsrrpsswrqekitrtkeealelingyiqkiksgeedfeslasqfsdcssa
    kargdlgafsrgqmqkpfedasfalrtgemsgpvftdsgihiilrte
    

    Sequence, based on observed residues (ATOM records): (download)
    >3odkA (A:)
    lppgwekamsrssgrvyyfnhitnasqwerpseparvrcshllvkhsqsrrpsswrqeki
    trtkeealelingyiqkiksgeedfeslasqfsdcssakargdlgafsrgqmqkpfedas
    falrtgemsgpvftdsgihiilrte