PDB entry 3dk6

View 3dk6 on RCSB PDB site
Description: Crystal structure of mutant ABL kinase domain in complex with small molecule fragment
Class: transferase
Keywords: DRUG DISCOVERY, ABL KINASE, FRAGMENT BASED, Alternative splicing, ATP-binding, Cell adhesion, Chromosomal rearrangement, Cytoplasm, Cytoskeleton, Kinase, Lipoprotein, Magnesium, Manganese, Metal-binding, Myristate, Nucleotide-binding, Nucleus, Phosphoprotein, Proto-oncogene, SH2 domain, SH3 domain, Transferase
Deposited on 2008-06-24, released 2008-07-29
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-02-24, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 2.02 Å
R-factor: 0.216
AEROSPACI score: 0.43 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Proto-oncogene tyrosine-protein kinase ABL1
    Species: Mus musculus [TaxId:10090]
    Gene: Abl1, Abl
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00520 (3-End)
      • engineered (23)
      • engineered (215)
    Domains in SCOPe 2.07: d3dk6a_
  • Chain 'B':
    Compound: Proto-oncogene tyrosine-protein kinase ABL1
    Species: Mus musculus [TaxId:10090]
    Gene: Abl1, Abl
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00520
      • engineered (215)
    Domains in SCOPe 2.07: d3dk6b_
  • Heterogens: SX7, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3dk6A (A:)
    msldkwemertditmkhklgggqfgevyegvwkkysltvavktlkedtmeveeflkeaav
    mkeikhpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqiss
    ameylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfpikwtape
    slaynkfsiksdvwafgvllweiatygmspypgidpsqvyellekdyrmerpegcpekvy
    elmracwqwnpsdrpsfaeihqafetmfqessisdevekelgkrgeghhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dk6A (A:)
    dkwemertditmkhklgqfgevyegvwkkysltvavktleveeflkeaavmkeikhpnlv
    qllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqissameylekknf
    ihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfpikwtapeslaynkfsik
    sdvwafgvllweiatygmspypgidpsqvyellekdyrmerpegcpekvyelmracwqwn
    psdrpsfaeihqafetmfqessi
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3dk6B (B:)
    msldkwemertditmkhklgggqfgevyegvwkkysltvavktlkedtmeveeflkeaav
    mkeikhpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqiss
    ameylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfpikwtape
    slaynkfsiksdvwafgvllweiatygmspypgidpsqvyellekdyrmerpegcpekvy
    elmracwqwnpsdrpsfaeihqafetmfqessisdevekelgkrgeghhhhhh
    

    Sequence, based on observed residues (ATOM records): (download)
    >3dk6B (B:)
    kwemertditmkhkevyegvwkkysltvavktleveeflkeaavmkeikhpnlvqllgvc
    treppfyiitefmtygnlldylrecnrqevsavvllymatqissameylekknfihrdla
    arnclvgenhlvkvadfglsrlmtgdtytahagakfpikwtapeslaynkfsiksdvwaf
    gvllweiatygmspypgidpsqvyellekdyrmerpegcpekvyelmracwqwnpsdrps
    faeihqafetmfqessisde