PDB entry 4qgg

View 4qgg on RCSB PDB site
Description: TMK in complex with compound 46, 2-(3-CHLOROPHENOXY)-3-FLUORO-4-{(1R)-3-METHYL-1-[(3S)-3-(5-METHYL-2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)PIPERIDIN-1-YL]BUTYL}BENZOIC ACID
Class: Transferase/transferase inhibitor
Keywords: thymidine monphosphate, soluble, Transferase-transferase inhibitor complex
Deposited on 2014-05-22, released 2014-06-11
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-07-02, with a file datestamp of 2014-06-27.
Experiment type: XRAY
Resolution: 1.62 Å
R-factor: 0.209
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:282458]
    Gene: SAR0483, tmk
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d4qgga_
  • 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 2.07: d4qggb_
  • Heterogens: 32C, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4qggA (A:)
safitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdirt
eamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefain
glypdltiylnvsaevgrerdqedlkfhekviegyqeiihnesqrfksvnadqplenvve
dtyqtiikyleki

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4qggB (B:)
safitfegpegsgkttvinevyhrlvkdydvimtrepggvptgeeirkivlegndmdirt
eamlfaasrrehlvlkvipalkegkvvlcdryidsslayqgyargigveevralnefain
glypdltiylnvsaevgreriidqedlkfhekviegyqeiihnesqrfksvnadqplenv
vedtyqtiikyleki