Download MendeleyCrystal structure of shikimate kinase of Mycobacterium tuberculosis complex with shikimate-3-phosphate
Yadav, A.K., Kumar, M., Ethayathulla, A.S., Madhuri, M., Saini, C.To be published.
8X5S
Crystal structure of shikimate kinase of Mycobacterium tuberculosis complex with shikimate-3-phosphate
- PDB DOI: https://doi.org/10.2210/pdb8X5S/pdb
- Classification: TRANSFERASE
- Organism(s): Mycobacterium tuberculosis H37Rv
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2023-11-18 Released: 2024-11-20
- Funding Organization(s): Indian Council of Medical Research
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.73 ?
- R-Value Free: 0.222
- R-Value Work: 0.176
Starting Model: experimental
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This is version 1.0 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 |
| Shikimate kinase | 176 | Mycobacterium tuberculosis H37Rv | Mutation(s): 0 Gene Names: aroK EC: 2.7.1.71 |  | |
UniProt | |||||
Find proteins for P9WPY3 (Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)) Explore P9WPY3 Go to UniProtKB: P9WPY3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P9WPY3 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| S3P (Subject of Investigation/LOI) Query on S3P | B [auth A] | SHIKIMATE-3-PHOSPHATE C7 H11 O8 P QYOJSKGCWNAKGW-PBXRRBTRSA-N |  | ||
| SO4 Query on SO4 | C [auth A], D [auth A], E [auth A], F [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.73 ?
- R-Value Free: 0.222
- R-Value Work: 0.176
- Space Group: P 31 2 1
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 59.424 | ¦Á = 90 |
| b = 59.424 | ¦Â = 90 |
| c = 102.25 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2024-11-20 Deposition Author(s): Yadav, A.K., Madhuri, M., Saini, C., Inampudi, K.K., Ethayathulla, A.S., Kumar, M.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Indian Council of Medical Research | India | -- |
Revision History (Full details and data files)
- Version 1.0: 2024-11-20
Type: Initial release
