PDB entry 3mss

View 3mss on RCSB PDB site
Description: Abl kinase in complex with imatinib and fragment (FRAG2) in the myristate site
Class: transferase/transferase inhibitor
Keywords: Kinase, fragment-based screening, FBS, TRANSFERASE, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2010-04-29, released 2010-05-26
The last revision prior to the SCOPe 2.07 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 1.95 Å
R-factor: 0.172
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase ABL1
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00520
      • expression tag (2-5)
    Domains in SCOPe 2.07: d3mssa1, d3mssa2
  • Chain 'B':
    Compound: Tyrosine-protein kinase ABL1
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00520
      • expression tag (2-5)
    Domains in SCOPe 2.07: d3mssb1, d3mssb2
  • Chain 'C':
    Compound: Tyrosine-protein kinase ABL1
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00520
      • expression tag (2-5)
    Domains in SCOPe 2.07: d3mssc1, d3mssc2
  • Chain 'D':
    Compound: Tyrosine-protein kinase ABL1
    Species: Mus musculus [TaxId:10090]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00520
      • expression tag (2-5)
    Domains in SCOPe 2.07: d3mssd1, d3mssd2
  • Heterogens: STI, MS7, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >3mssA (A:)
    mdpsydkwemertditmkhklgggqygevyegvwkkysltvavktlveeflkeaavmkei
    khpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqissamey
    lekknfihrdlaarnclvgenhlvkvadfglsrlmgdtytahagakfpikwtapeslayn
    kfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpegcpekvyelmra
    cwqwnpsdrpsfaeihqafetmfq
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3mssB (B:)
    mdpsydkwemertditmkhklgggqygevyegvwkkysltvavktlveeflkeaavmkei
    khpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqissamey
    lekknfihrdlaarnclvgenhlvkvadfglsrlmgdtytahagakfpikwtapeslayn
    kfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpegcpekvyelmra
    cwqwnpsdrpsfaeihqafetmfq
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3mssC (C:)
    mdpsydkwemertditmkhklgggqygevyegvwkkysltvavktlveeflkeaavmkei
    khpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqissamey
    lekknfihrdlaarnclvgenhlvkvadfglsrlmgdtytahagakfpikwtapeslayn
    kfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpegcpekvyelmra
    cwqwnpsdrpsfaeihqafetmfq
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >3mssD (D:)
    mdpsydkwemertditmkhklgggqygevyegvwkkysltvavktlveeflkeaavmkei
    khpnlvqllgvctreppfyiitefmtygnlldylrecnrqevsavvllymatqissamey
    lekknfihrdlaarnclvgenhlvkvadfglsrlmgdtytahagakfpikwtapeslayn
    kfsiksdvwafgvllweiatygmspypgidlsqvyellekdyrmerpegcpekvyelmra
    cwqwnpsdrpsfaeihqafetmfq