PDB entry 3kce

View 3kce 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 2009-10-21, 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: 0.217
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: d3kcea1, d3kcea2
  • Heterogens: 12P, 4BY, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >3kceA (A:)
    klppgwekamsrssgrvyyfnhitnasqwerpseparvrcshllvkhsqsrrpsswrqek
    itrtkeealelingyiqkiksgeedfeslasqfsdcssakargdlgafsrgqmqkpfeda
    sfalrtgemsgpvftdsgihiilrte