PDB entry 4tyo

View 4tyo on RCSB PDB site
Description: PPIase in complex with a non-phosphate small molecule inhibitor.
Class: isomerase/isomerase inhibitor
Keywords: SBDD, PPIase, Cell cycle, Isomerase, Small Molecule, Nucleus, Phosphoprotein, Rotamase, PEPTIDYL-PROLYL CIS-TRANS ISOMERASE, ISOMERASE-ISOMERASE INHIBITOR complex
Deposited on 2014-07-08, released 2014-08-20
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-11-22, with a file datestamp of 2017-11-17.
Experiment type: XRAY
Resolution: 1.75 Å
R-factor: N/A
AEROSPACI score: 0.39 (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-122)
      • engineered mutation (36)
      • engineered mutation (41)
    Domains in SCOPe 2.08: d4tyoa_
  • Chain 'B':
    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-122)
      • engineered mutation (36)
      • engineered mutation (41)
    Domains in SCOPe 2.08: d4tyob_
  • Heterogens: 39X, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4tyoA (A:)
gshmgkngqgeparvrcshllvkhsqsrrpsswrqeqitrtqeealelingyiqkiksge
edfeslasqfsdcssakargdlgafsrgqmqkpfedasfalrtgemsgpvftdsgihiil
rte

    Sequence, based on observed residues (ATOM records): (download) 
    >4tyoA (A:)
eparvrcshllvkhsqsrrpsswrqeqitrtqeealelingyiqkiksgeedfeslasqf
sdcssakargdlgafsrgqmqkpfedasfalrtgemsgpvftdsgihiilrte

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4tyoB (B:)
gshmgkngqgeparvrcshllvkhsqsrrpsswrqeqitrtqeealelingyiqkiksge
edfeslasqfsdcssakargdlgafsrgqmqkpfedasfalrtgemsgpvftdsgihiil
rte

    Sequence, based on observed residues (ATOM records): (download) 
    >4tyoB (B:)
qgeparvrcshllvkhsqsrrpsswrqeqitrtqeealelingyiqkiksgeedfeslas
qfsdcssakargdlgafsrgqmqkpfedasfalrtgemsgpvftdsgihiilrte