PDB entry 4ppc

View 4ppc on RCSB PDB site
Description: ITK kinase domain with compound 27 (N-{1-[(1R)-3-(DIMETHYLAMINO)-1-PHENYLPROPYL]-1H-PYRAZOL-4-YL}-6-(1H-PYRAZOL-4-YL)-1H-INDAZOLE-3-CARBOXAMIDE)
Class: transferase/transferase inhibitor
Keywords: protein kinase, phospho-transfer, transferase-transferase inhibitor complex
Deposited on 2014-02-26, released 2014-06-04
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-06-04, with a file datestamp of 2014-05-30.
Experiment type: XRAY
Resolution: 2.95 Å
R-factor: 0.215
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase ITK/TSK
    Species: Homo sapiens [TaxId:9606]
    Gene: ITK, EMT, LYK
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q08881 (2-End)
      • expression tag (1)
    Domains in SCOPe 2.07: d4ppca1, d4ppca2
  • Chain 'B':
    Compound: Tyrosine-protein kinase ITK/TSK
    Species: Homo sapiens [TaxId:9606]
    Gene: ITK, EMT, LYK
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q08881 (2-End)
      • expression tag (1)
    Domains in SCOPe 2.07: d4ppcb1, d4ppcb2
  • Heterogens: 2VW

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ppcA (A:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqetsstgtkfpvkwaspevfsfsr
    yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
    wkerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ppcA (A:)
    svidpseltfvqeigsgglvhlgywlnkdkvaiktiieeaevmmklshpklvqlygvcle
    qapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeacvihrdlaarn
    clvgenqvikvsdfpvkwaspevfsfsryssksdvwsfgvlmwevfsegkipyenrsnse
    vvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqlaeiaesg
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4ppcB (B:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqetsstgtkfpvkwaspevfsfsr
    yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
    wkerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ppcB (B:)
    svidpseltfvqeigsgglvhlgywlnkdkvaiktiieeaevmmklshpklvqlygvcla
    piclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeacvihrdlaarncl
    vgenqvikvsdfpvkwaspevfsfsryssksdvwsfgvlmwevfsegkipyenrsnsevv
    edistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqlaeiaesg