PDB entry 2xpa

View 2xpa on RCSB PDB site
Description: discovery of cell-active phenyl-imidazole pin1 inhibitors by structure-guided fragment evolution
Class: isomerase
Keywords: isomerase, rotamase, proline directed kinase, cell cycle, oncogenic transformation
Deposited on 2010-08-25, released 2011-01-12
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-01-12, with a file datestamp of 2011-01-07.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.20905
AEROSPACI score: 0.45 (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]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q13526 (Start-166)
      • engineered mutation (17)
    Domains in SCOPe 2.06: d2xpaa1, d2xpaa2
  • Heterogens: 12P, 4G5, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2xpaA (A:)
    gshgmadeeklppgwekamsrssgrvyyfnhitnasqwerpsgnsssggkngqgeparvr
    cshllvkhsqsrrpsswrqekitrtkeealelingyiqkiksgeedfeslasqfsdcssa
    kargdlgafsrgqmqkpfedasfalrtgemsgpvftdsgihiilrte
    

    Sequence, based on observed residues (ATOM records): (download)
    >2xpaA (A:)
    lppgwekamsrssgrvyyfnhitnasqwerpsgeparvrcshllvkhsqsrrpsswrqek
    itrtkeealelingyiqkiksgeedfeslasqfsdcssakargdlgafsrgqmqkpfeda
    sfalrtgemsgpvftdsgihiilrte