PDB entry 4m13

View 4m13 on RCSB PDB site
Description: Crystal structure of ITK in complex with compound 8 [4-(carbamoylamino)-1-(7-propoxynaphthalen-1-yl)-1H-pyrazole-3-carboxamide]
Class: transferase/transferase inhibitor
Keywords: Kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-08-02, released 2014-04-02
The last revision prior to the SCOPe 2.03 freeze date was dated 2014-04-02, with a file datestamp of 2014-03-28.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: 0.19
AEROSPACI score: 0.41 (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
      • conflict (244)
    Domains in SCOPe 2.03: d4m13a_
  • Heterogens: 1E0, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4m13A (A:)
    gsgkwvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmm
    klshpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegma
    yleeacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfs
    fsryssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqim
    nhcwrerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >4m13A (A:)
    kwvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsr
    yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
    wrerpedrpafsrllrqlaeiaes