PDB entry 4hct

View 4hct on RCSB PDB site
Description: Crystal structure of ITK in complex with compound 52
Class: transferase/transferase inhibitor
Keywords: Kinase, transferase-transferase inhibitor complex
Deposited on 2012-10-01, released 2012-11-14
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-01-02, with a file datestamp of 2012-12-28.
Experiment type: XRAY
Resolution: 1.48 Å
R-factor: 0.172
AEROSPACI score: 0.66 (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)
      • engineered mutation (244)
    Domains in SCOPe 2.03: d4hcta_
  • Heterogens: 18R, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4hctA (A:)
    gsgkwvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmm
    klshpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegma
    yleeacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfs
    fsryssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqim
    nhcwrerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4hctA (A:)
    gkwvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkl
    shpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayl
    eeacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfs
    ryssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnh
    cwrerpedrpafsrllrqlaeiaes