PDB entry 4rfm

View 4rfm on RCSB PDB site
Description: ITK kinase domain in complex with compound 1 N-{1-[(1,1-dioxo-1-thian-2-yl)(phenyl)methyl]-1H- pyrazol-4-yl}-5,5-difluoro-5a-methyl-1H,4H,4aH,5H,5aH,6H-cyclopropa[f]indazole-3-carboxamide
Class: transferase/inhibitor
Keywords: kinase, TRANSFERASE-INHIBITOR complex
Deposited on 2014-09-26, released 2015-04-29
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-08-26, with a file datestamp of 2015-08-21.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: N/A
AEROSPACI score: 0.29 (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)
      • engineered mutation (122)
      • engineered mutation (259)
      • engineered mutation (262)
    Domains in SCOPe 2.07: d4rfma1, d4rfma2
  • Heterogens: 3P6, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4rfmA (A:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    easvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsr
    yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
    wkerpedrpafsrllrqlaaiaasgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4rfmA (A:)
    svidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmklsh
    pklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmaylee
    asvihrdlaarnclvgenqvikvsdfgmtrfpvkwaspevfsfsryssksdvwsfgvlmw
    evfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrll
    rqlaaiaas