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Yorodumi- PDB-5cm5: Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus... -
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-Basic information
Entry | Database: PDB / ID: 5cm5 | ||||||
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Title | Structure of Hydroxyethylthiazole Kinase ThiM from Staphylococcus aureus | ||||||
Components | Hydroxyethylthiazole kinase | ||||||
Keywords | TRANSFERASE / Bacterial Thiamine Biosynthesis / Hydroxyethylthiazole Kinase | ||||||
Function / homology | Function and homology information hydroxyethylthiazole kinase / hydroxyethylthiazole kinase activity / thiamine diphosphate biosynthetic process / thiamine biosynthetic process / phosphorylation / magnesium ion binding / ATP binding Similarity search - Function | ||||||
Biological species | Staphylococcus aureus subsp. aureus MRSA252 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.09 Å | ||||||
Authors | Drebes, J. / Kuenz, M. / Eberle, R.J. / Oberthuer, D. / Cang, H. / Wrenger, C. / Betzel, C. | ||||||
Funding support | Germany, 1items
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Citation | Journal: Sci Rep / Year: 2016 Title: Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections. Authors: Julia Drebes / Madeleine Künz / Björn Windshügel / Alexey G Kikhney / Ingrid B Müller / Raphael J Eberle / Dominik Oberthür / Huaixing Cang / Dmitri I Svergun / Markus Perbandt / ...Authors: Julia Drebes / Madeleine Künz / Björn Windshügel / Alexey G Kikhney / Ingrid B Müller / Raphael J Eberle / Dominik Oberthür / Huaixing Cang / Dmitri I Svergun / Markus Perbandt / Christian Betzel / Carsten Wrenger / Abstract: Infections caused by the methicillin-resistant Staphylococcus aureus (MRSA) are today known to be a substantial threat for global health. Emerging multi-drug resistant bacteria have created a ...Infections caused by the methicillin-resistant Staphylococcus aureus (MRSA) are today known to be a substantial threat for global health. Emerging multi-drug resistant bacteria have created a substantial need to identify and discover new drug targets and to develop novel strategies to treat bacterial infections. A promising and so far untapped antibiotic target is the biosynthesis of vitamin B1 (thiamin). Thiamin in its activated form, thiamin pyrophosphate, is an essential co-factor for all organisms. Therefore, thiamin analogous compounds, when introduced into the vitamin B1 biosynthetic pathway and further converted into non-functional co-factors by the bacterium can function as pro-drugs which thus block various co-factor dependent pathways. We characterized one of the key enzymes within the S. aureus vitamin B1 biosynthetic pathway, 5-(hydroxyethyl)-4-methylthiazole kinase (SaThiM; EC 2.7.1.50), a potential target for pro-drug compounds and analyzed the native structure of SaThiM and complexes with the natural substrate 5-(hydroxyethyl)-4-methylthiazole (THZ) and two selected substrate analogues. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5cm5.cif.gz | 577.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5cm5.ent.gz | 480.2 KB | Display | PDB format |
PDBx/mmJSON format | 5cm5.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/cm/5cm5 ftp://data.pdbj.org/pub/pdb/validation_reports/cm/5cm5 | HTTPS FTP |
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-Related structure data
Related structure data | 5cgaC 5cgeC 5cojC 1c3qS C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
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-Assembly
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Noncrystallographic symmetry (NCS) | NCS domain:
NCS domain segments: Component-ID: 0 / Beg auth comp-ID: MET / Beg label comp-ID: MET / Refine code: 0
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