Download Mendeley3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with tryptophan in all three allosteric binding sites
Reichau, S., Blackmore, N.J., Jiao, W., Parker, E.J.To be published.
5EX4
3-deoxy-d-arabino-heptulosonate 7-phosphate synthase from Mycobacterium tuberculosis complexed with tryptophan in all three allosteric binding sites
- PDB DOI: https://doi.org/10.2210/pdb5EX4/pdb
- Classification: TRANSFERASE
- Organism(s): Mycobacterium tuberculosis
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2015-11-23 Released: 2015-12-02
- Funding Organization(s): New Zealand Marsden Fund, Maurice Wilkins Centre for Molecular Biodiscovery
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 ?
- R-Value Free: 0.170
- R-Value Work: 0.141
- R-Value Observed: 0.142
Starting Model: experimental
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This is version 1.1 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 |
| 3-deoxy-D-arabinoheptulosonate-7-phosphate synthase | 464 | Mycobacterium tuberculosis | Mutation(s): 0 Gene Names: aroG_1, ERS024751_03564, ERS094182_00944, ERS124362_02783 EC: 2.5.1.54 |  | |
UniProt | |||||
Find proteins for O53512 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore O53512 Go to UniProtKB: O53512 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O53512 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 6 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TRP Query on TRP | D [auth A], F [auth A], L [auth B], M [auth B], Q [auth B] | TRYPTOPHAN C11 H12 N2 O2 QIVBCDIJIAJPQS-VIFPVBQESA-N |  | ||
| SO4 Query on SO4 | E [auth A], J [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| PO4 Query on PO4 | H [auth A], P [auth B] | PHOSPHATE ION O4 P NBIIXXVUZAFLBC-UHFFFAOYSA-K |  | ||
| GOL Query on GOL | G [auth A], I [auth A], N [auth B], O [auth B], S [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| MN Query on MN | C [auth A], K [auth B] | MANGANESE (II) ION Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N |  | ||
| CL Query on CL | R [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.25 ?
- R-Value Free: 0.170
- R-Value Work: 0.141
- R-Value Observed: 0.142
- Space Group: P 32 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 204.68 | ¦Á = 90 |
| b = 204.68 | ¦Â = 90 |
| c = 66.74 | ¦Ã = 120 |
| Software Name | Purpose |
|---|---|
| SCALA | data scaling |
| MOLREP | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| iMOSFLM | data reduction |
Entry History & Funding Information
Deposition Data
- Released Date: 2015-12-02 Deposition Author(s): Reichau, S., Jiao, W., Blackmore, N.J., Hutton, R.D., Parker, E.J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| New Zealand Marsden Fund | New Zealand | UOC1105 |
| Maurice Wilkins Centre for Molecular Biodiscovery | New Zealand | -- |
Revision History (Full details and data files)
- Version 1.0: 2015-12-02
Type: Initial release - Version 1.1: 2023-09-27
Changes: Data collection, Database references, Derived calculations, Refinement description
