PDB entry 3dk3

View 3dk3 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 2.06 freeze date was dated 2009-02-24, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 2.02 Å
R-factor: 0.213
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 (163)
      • engineered (215)
    Domains in SCOPe 2.06: d3dk3a_
  • 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 (3-End)
      • engineered (163)
      • engineered (215)
    Domains in SCOPe 2.06: d3dk3b_
  • Heterogens: SO4, SX7, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3dk3A (A:)
msldkwemertditmkhklgggqygevyegvwkkysltvavktlkedtmeveeflkeaav
mkeikhpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqiss
ameylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtftahagakfpikwtape
slaynkfsiksdvwafgvllweiatygmspypgidpsqvyellekdyrmerpegcpekvy
elmracwqwnpsdrpsfaeihqafetmfqessisdevekelgkrgeghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3dk3A (A:)
dkwemertditmkhklgggqygevyegvwkkysltvavktlkeveeflkeaavmkeikhp
nlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqissameylek
knfihrdlaarnclvgenhlvkvadfglsrlmtgdtftahagakfpikwtapeslaynkf
siksdvwafgvllweiatygmspypgidpsqvyellekdyrmerpegcpekvyelmracw
qwnpsdrpsfaeihqafetmfqessi

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3dk3B (B:)
msldkwemertditmkhklgggqygevyegvwkkysltvavktlkedtmeveeflkeaav
mkeikhpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqiss
ameylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtftahagakfpikwtape
slaynkfsiksdvwafgvllweiatygmspypgidpsqvyellekdyrmerpegcpekvy
elmracwqwnpsdrpsfaeihqafetmfqessisdevekelgkrgeghhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3dk3B (B:)
dkwemertditmkhklgggqygevyegvwkkysltvavktlmeveeflkeaavmkeikhp
nlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqissameylek
knfihrdlaarnclvgenhlvkvadfglsrlmtgdtftahagakfpikwtapeslaynkf
siksdvwafgvllweiatygmspypgidpsqvyellekdyrmerpegcpekvyelmracw
qwnpsdrpsfaeihqafetmfqessisde