PDB entry 4kio

View 4kio on RCSB PDB site
Description: Kinase domain mutant of human Itk in complex with a covalently-binding inhibitor
Class: Transferase/Transferase inhibitor
Keywords: KINASE DOMAIN, Transferase-Transferase inhibitor complex
Deposited on 2013-05-02, released 2013-08-21
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-08-21, with a file datestamp of 2013-08-16.
Experiment type: XRAY
Resolution: 2.18 Å
R-factor: 0.167
AEROSPACI score: 0.44 (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 (0-1)
    Domains in SCOPe 2.03: d4kioa_
  • 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 (0-1)
    Domains in SCOPe 2.03: d4kiob_
  • Chain 'C':
    Compound: Tyrosine-protein kinase ITK/TSK
    Species: Homo sapiens [TaxId:9606]
    Gene: ITK, EMT, LYK
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q08881 (2-265)
      • expression tag (0-1)
    Domains in SCOPe 2.03: d4kioc_
  • Chain 'D':
    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 (0-1)
    Domains in SCOPe 2.03: d4kiod_
  • Heterogens: G5K, G6K, SO4, GOL, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4kioA (A:)
    gsvidpseltfvqeigsglvhlgywlnkdkvaiktieedfieeaevmmklshpklvqlyg
    vcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeacvihrdl
    aarnclvgenqvikvsdfgmtpvkwaspevfsfsryssksdvwsfgvlmwevfsegkipy
    enrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqlaeiaesg
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4kioB (B:)
    gsvidpseltfvqeigsglvhlgywlnkdkvaiktiedfieeaevmmklshpklvqlygv
    cleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeacvihrdla
    arnclvgenqvikvsdfgmtpvkwaspevfsfsryssksdvwsfgvlmwevfsegkipye
    nrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqlaeiaesg
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4kioC (C:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    eacvihrdlaarnclvgenqvikvsdfgmtfpvkwaspevfsfsryssksdvwsfgvlmw
    evfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrll
    rqlaeiaesgl
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4kioD (D:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiseedfieeaevmmklshpklv
    qlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeacvi
    hrdlaarnclvgenqvikvsdfgmpvkwaspevfsfsryssksdvwsfgvlmwevfsegk
    ipyenrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqlaeia
    es