Download MendeleyThymidylate synthase from Staphylococcus aureus.
Osipiuk, J., Holowicki, J., Jedrzejczak, R., Rubin, E., Guinn, K., Ioerger, T., Baker, D., Sacchettini, J., Joachimiak, A.To be published.
4DQ1
Thymidylate synthase from Staphylococcus aureus.
- PDB DOI: https://doi.org/10.2210/pdb4DQ1/pdb
- Classification: TRANSFERASE
- Organism(s): Staphylococcus aureus subsp. aureus Mu50
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2012-02-14 Released: 2012-03-21
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.71 Å
- R-Value Free: 0.252
- R-Value Work: 0.192
- R-Value Observed: 0.195
This is version 1.2 of the entry. See complete history.
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| Thymidylate synthase | 321 | Staphylococcus aureus subsp. aureus Mu50 | Mutation(s): 0 Gene Names: SAV1427, thyA EC: 2.1.1.45 |  | |
UniProt | |||||
Find proteins for P67046 (Staphylococcus aureus (strain Mu50 / ATCC 700699)) Explore P67046 Go to UniProtKB: P67046 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P67046 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| UMP Query on UMP | C [auth A], D [auth B] | 2'-DEOXYURIDINE 5'-MONOPHOSPHATE C9 H13 N2 O8 P JSRLJPSBLDHEIO-SHYZEUOFSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.71 Å
- R-Value Free: 0.252
- R-Value Work: 0.192
- R-Value Observed: 0.195
- Space Group: P 43
- Diffraction Data: https://doi.org/10.18430/M34DQ1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 111.309 | α = 90 |
| b = 111.309 | β = 90 |
| c = 59.081 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| SBC-Collect | data collection |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| HKL-3000 | phasing |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2012-03-21 Deposition Author(s): Osipiuk, J., Holowicki, J., Jedrzejczak, R., Rubin, E., Guinn, K., Ioerger, T., Baker, D., Sacchettini, J., Joachimiak, A., Midwest Center for Structural Genomics (MCSG), Structures of Mtb Proteins Conferring Susceptibility to Known Mtb Inhibitors (MTBI)
Revision History (Full details and data files)
- Version 1.0: 2012-03-21
Type: Initial release - Version 1.1: 2017-11-15
Changes: Refinement description - Version 1.2: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
