PDB entry 4hej

View 4hej on RCSB PDB site
Description: Discovery of Selective and Potent Inhibitors of Gram-positive Bacterial Thymidylate Kinase (TMK): Compund 16
Class: transferase/transferase inhibitor
Keywords: TMK, inhibitor, TMP, antibacterial, DNA repair, kinase, dTMP ATP, phosphorylation, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2012-10-03, released 2012-10-24
The last revision prior to the SCOPe 2.03 freeze date was dated 2013-01-02, with a file datestamp of 2012-12-28.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.195
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: thymidylate kinase
    Species: Staphylococcus aureus subsp. aureus [TaxId:158879]
    Gene: SA0440, tmk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4heja_
  • Chain 'B':
    Compound: thymidylate kinase
    Species: Staphylococcus aureus subsp. aureus [TaxId:158879]
    Gene: SA0440, tmk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.03: d4hejb_
  • Heterogens: 14D, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4hejA (A:)
    msafitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdir
    teamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefai
    nglypdltiylnvsaevgreriiknsrdqnrldqedlkfhekviegyqeiihnesqrfks
    vnadqplenvvedtyqtiikyleki
    

    Sequence, based on observed residues (ATOM records): (download)
    >4hejA (A:)
    safitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdirt
    eamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefain
    glypdltiylnvsaevgreriiknnrldqedlkfhekviegyqeiihnesqrfksvnadq
    plenvvedtyqtiikyle
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4hejB (B:)
    msafitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdir
    teamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefai
    nglypdltiylnvsaevgreriiknsrdqnrldqedlkfhekviegyqeiihnesqrfks
    vnadqplenvvedtyqtiikyleki
    

    Sequence, based on observed residues (ATOM records): (download)
    >4hejB (B:)
    safitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdirt
    eamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefain
    glypdltiylnvsaevgreriiknsdqedlkfhekviegyqeiihnesqrfksvnadqpl
    envvedtyqtiikylek