PDB entry 3ms9

View 3ms9 on RCSB PDB site
Description: ABL kinase in complex with imatinib and a fragment (FRAG1) in the myristate pocket
Class: transferase/transferase regulator
Keywords: kinase, fragment-based screening, FBS, TRANSFERASE, TRANSFERASE-TRANSFERASE REGULATOR complex
Deposited on 2010-04-29, released 2010-05-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2010-06-02, with a file datestamp of 2010-05-28.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.188
AEROSPACI score: 0.51 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase ABL1
    Species: Mus musculus [TaxId:10090]
    Gene: Abl1, Abl
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00520
      • expression tag (1-4)
    Domains in SCOPe 2.07: d3ms9a1, d3ms9a2
  • Chain 'B':
    Compound: Tyrosine-protein kinase ABL1
    Species: Mus musculus [TaxId:10090]
    Gene: Abl1, Abl
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00520 (6-End)
      • expression tag (1-5)
    Domains in SCOPe 2.07: d3ms9b1, d3ms9b2
  • Heterogens: STI, MS9, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3ms9A (A:)
    gamdpsspnydkwemertditmkhklgggqygevyegvwkkysltvavktlkedtmevee
    flkeaavmkeikhpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvlly
    matqissameylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfp
    ikwtapeslaynkfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpe
    gcpekvyelmracwqwnpsdrpsfaeihqafetmfqessisdevekelgkrgt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ms9A (A:)
    amdppnydkwemertditmkhklgggqygevyegvwkkysltvavktlveeflkeaavmk
    eikhpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqissam
    eylekknfihrdlaarnclvgenhlvkvadfglsrlgdtytahagakfpikwtapeslay
    nkfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpegcpekvyelmr
    acwqwnpsdrpsfaeihqafetmfq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3ms9B (B:)
    gamdpsspnydkwemertditmkhklgggqygevyegvwkkysltvavktlkedtmevee
    flkeaavmkeikhpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvlly
    matqissameylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfp
    ikwtapeslaynkfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpe
    gcpekvyelmracwqwnpsdrpsfaeihqafetmfqessisdevekelgkrgt
    

    Sequence, based on observed residues (ATOM records): (download)
    >3ms9B (B:)
    amdpsspnydkwemertditmkhklgggqygevyegvwkkysltvavktltmeveeflke
    aavmkeikhpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatq
    issameylekknfihrdlaarnclvgenhlvkvadfglsrlmtgdtytahagakfpikwt
    apeslaynkfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpegcpe
    kvyelmracwqwnpsdrpsfaeihqafetmfq