PDB entry 4qg7

View 4qg7 on RCSB PDB site
Description: S.aureus TMK in complex with a potent inhibitor compound 18, 2-(3-CHLOROPHENOXY)-3-METHOXY-4-{[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]METHYL}BENZOIC ACID
Class: transferase/transferase inhibitor
Keywords: TRANSFERASE/TRANSFERASE INHIBITOR kinase, thymidine monphosphate, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-05-22, released 2014-06-11
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-07-02, with a file datestamp of 2014-06-27.
Experiment type: XRAY
Resolution: 1.67 Å
R-factor: 0.189
AEROSPACI score: 0.48 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: thymidylate kinase
    Species: Staphylococcus aureus subsp. aureus [TaxId:282458]
    Gene: SAR0483, tmk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qg7a_
  • Chain 'B':
    Compound: thymidylate kinase
    Species: Staphylococcus aureus subsp. aureus [TaxId:282458]
    Gene: SAR0483, tmk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4qg7b_
  • Heterogens: 32K, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4qg7A (A:)
    msafitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdir
    teamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefai
    nglypdltiylnvsaevgreriiknsrdqnrldqedlkfhekviegyqeiihnesqrfks
    vnadqplenvvedtyqtiikyleki
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qg7A (A:)
    safitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdirt
    eamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefain
    glypdltiylnvsaevgreriikndqedlkfhekviegyqeiihnesqrfksvnadqple
    nvvedtyqtiikyleki
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4qg7B (B:)
    msafitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdir
    teamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefai
    nglypdltiylnvsaevgreriiknsrdqnrldqedlkfhekviegyqeiihnesqrfks
    vnadqplenvvedtyqtiikyleki
    

    Sequence, based on observed residues (ATOM records): (download)
    >4qg7B (B:)
    safitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdirt
    eamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefain
    glypdltiylnvsaevgreriiknsdqedlkfhekviegyqeiihnesqrfksvnadqpl
    envvedtyqtiikyleki