PDB entry 3qgy

View 3qgy on RCSB PDB site
Description: Crystal structure of ITK inhibitor complex
Class: transferase/transferase inhibitor
Keywords: PROTEIN KINASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2011-01-25, released 2011-06-22
The last revision prior to the SCOPe 2.03 freeze date was dated 2011-06-22, with a file datestamp of 2011-06-17.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.208
AEROSPACI score: 0.39 (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 (22-End)
      • expression tag (20-21)
      • conflict (59)
      • conflict (62)
      • conflict (66)
    Domains in SCOPe 2.03: d3qgya_
  • 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 (22-End)
      • expression tag (21)
      • conflict (59)
      • conflict (62)
      • conflict (66)
    Domains in SCOPe 2.03: d3qgyb_
  • Heterogens: PQC, L7O, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3qgyA (A:)
    mgsshhhhhhssglvprgslhmvidpseltfvqeigsgqfglvhlgywlnkdkvaiktik
    egsmseddfieeaevmmklshpklvqlygvcleqapiclvfefmehgclsdylrtqrglf
    aaetllgmcldvcegmayleeacvihrdlaarnclvgenqvikvsdfgmtrfvlddqyts
    stgtkfpvkwaspevfsfsryssksdvwsfgvlmwevfsegkipyenrsnsevvedistg
    frlykprlasthvyqimnhcwkerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qgyA (A:)
    hmvidpseltfvqeigsgqfglvhlgywlnkdkvaiktikegsmseddfieeaevmmkls
    hpklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmayle
    eacvihrdlaarnclvgenqvikvsdfgpvkwaspevfsfsryssksdvwsfgvlmwevf
    segkipyenrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrql
    aeiaes
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3qgyB (B:)
    mgsshhhhhhssglvprgslhmvidpseltfvqeigsgqfglvhlgywlnkdkvaiktik
    egsmseddfieeaevmmklshpklvqlygvcleqapiclvfefmehgclsdylrtqrglf
    aaetllgmcldvcegmayleeacvihrdlaarnclvgenqvikvsdfgmtrfvlddqyts
    stgtkfpvkwaspevfsfsryssksdvwsfgvlmwevfsegkipyenrsnsevvedistg
    frlykprlasthvyqimnhcwkerpedrpafsrllrqlaeiaesgl
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qgyB (B:)
    mvidpseltfvqeigsgqfglvhlgywlnkdkvaiktikegsmseddfieeaevmmklsh
    pklvqlygvcleqapiclvfefmehgclsdylrtqrglfaaetllgmcldvcegmaylee
    acvihrdlaarnclvgenqvikvsdfgmtpvkwaspevfsfsryssksdvwsfgvlmwev
    fsegkipyenrsnsevvedistgfrlykprlasthvyqimnhcwkerpedrpafsrllrq
    laeia