PDB entry 3qrj

View 3qrj on RCSB PDB site
Description: The crystal structure of human abl1 kinase domain T315I mutant in complex with DCC-2036
Class: transferase/transferase inhibitor
Keywords: ABL1, KINASE, KINASE DOMAIN, T315I, gatekeeper mutation, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2011-02-18, released 2011-06-01
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-06-01, with a file datestamp of 2011-05-27.
Experiment type: XRAY
Resolution: 1.82 Å
R-factor: 0.232
AEROSPACI score: 0.44 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase ABL1
    Species: Homo sapiens [TaxId:9606]
    Gene: ABL1, ABL, JTK7
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00519
      • engineered mutation (92)
    Domains in SCOPe 2.04: d3qrja_
  • Chain 'B':
    Compound: Tyrosine-protein kinase ABL1
    Species: Homo sapiens [TaxId:9606]
    Gene: ABL1, ABL, JTK7
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00519
      • engineered mutation (92)
    Domains in SCOPe 2.04: d3qrjb_
  • Heterogens: 919, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3qrjA (A:)
    tsmdpsspnydkwemertditmkhklgggqygevyegvwkkysltvavktlkedtmevee
    flkeaavmkeikhpnlvqllgvctreppfyiiiefmtygnlldylrecnrqevnavvlly
    matqissameylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfp
    ikwtapeslaynkfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpe
    gcpekvyelmracwqwnpsdrpsfaeihqafetmfqe
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qrjA (A:)
    kwemertditmkhklgggqygevyegvwkkysltvavktleveeflkeaavmkeikhpnl
    vqllgvctreppfyiiiefmtygnlldylrecnrqevnavvllymatqissameylekkn
    fihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfpikwtapeslaynkfsi
    ksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpegcpekvyelmracwqw
    npsdrpsfaeihqafetm
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3qrjB (B:)
    tsmdpsspnydkwemertditmkhklgggqygevyegvwkkysltvavktlkedtmevee
    flkeaavmkeikhpnlvqllgvctreppfyiiiefmtygnlldylrecnrqevnavvlly
    matqissameylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfp
    ikwtapeslaynkfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpe
    gcpekvyelmracwqwnpsdrpsfaeihqafetmfqe
    

    Sequence, based on observed residues (ATOM records): (download)
    >3qrjB (B:)
    dkwemertditmkhklgggqygevyegvwkkysltvavktlkedtmeveeflkeaavmke
    ikhpnlvqllgvctreppfyiiiefmtygnlldylrecnrqevnavvllymatqissame
    ylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfpikwtapesla
    ynkfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpegcpekvyelm
    racwqwnpsdrpsfaeihqafetmf