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