PDB entry 3v5l

View 3v5l on RCSB PDB site
Description: Crystal Structure of Interleukin-2 Inducible T-cell Kinase Itk Catalytic Domain with Thienopyrazolylindole Inhibitor 542
Class: transferase/transferase inhibitor
Keywords: Kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2011-12-16, released 2012-05-02
The last revision prior to the SCOPe 2.03 freeze date was dated 2012-05-02, with a file datestamp of 2012-04-27.
Experiment type: XRAY
Resolution: 1.86 Å
R-factor: 0.232
AEROSPACI score: 0.45 (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: d3v5la_
  • 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: d3v5lb_
  • 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-End)
      • expression tag (0-1)
    Domains in SCOPe 2.03: d3v5lc_
  • 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: d3v5ld_
  • Heterogens: 0G1, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3v5lA (A:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsr
    yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
    wkerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v5lA (A:)
    gsvidpseltfvqeigsgglvhlgywlnkdkvaiktimseedfieeaevmmklshpklvq
    lygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeacvih
    rdlaarnclvgenqvikvsdfgmtpvkwaspevfsfsryssksdvwsfgvlmwevfsegk
    ipyenrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqlaeia
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3v5lB (B:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsr
    yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
    wkerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v5lB (B:)
    gsvidpseltfvqeigslvhlgywlnkdkvaiktirseedfieeaevmmklshpklvqly
    gvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeacvihrd
    laarnclvgenqvikvsdfgmtpvkwaspevfsfsryssksdvwsfgvlmwevfsegkip
    yenrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqlaeiaes
    g
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3v5lC (C:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsr
    yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
    wkerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v5lC (C:)
    gsvidpseltfvqeigsglvhlgywlnkdkvaiktiregamseedfieeaevmmklshpk
    lvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeac
    vihrdlaarnclvgenqvikvsdfgmtfpvkwaspevfsfsryssksdvwsfgvlmwevf
    segkipyenrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrql
    aeia
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3v5lD (D:)
    gsvidpseltfvqeigsgqfglvhlgywlnkdkvaiktiregamseedfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    eacvihrdlaarnclvgenqvikvsdfgmtrfvlddqytsstgtkfpvkwaspevfsfsr
    yssksdvwsfgvlmwevfsegkipyenrsnsevvedistgfrlykprlasthvyqimnhc
    wkerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3v5lD (D:)
    gsvidpseltfvqeigsgqglvhlgywlnkdkvaiktiramseedfieeaevmmklshpk
    lvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayleeac
    vihrdlaarnclvgenqvikvsdfgmfpvkwaspevfsfsryssksdvwsfgvlmwevfs
    egkipyenrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrqla
    eiaesg