Download MendeleyCrystal Structure of Shikimate Dehydrogenase (aroE) Clinical Variant v2356 from Helicobacter pylori in Complex with Shikimate
Cheng, W.C., Chen, T.J., Wang, W.C.To be published.
4FSH
Crystal Structure of Shikimate Dehydrogenase (aroE) Clinical Variant v2356 from Helicobacter pylori in Complex with Shikimate
- PDB DOI: https://doi.org/10.2210/pdb4FSH/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Helicobacter pylori 26695
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2012-06-27 Released: 2013-01-30
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.85 Å
- R-Value Free: 0.260
- R-Value Work: 0.214
- R-Value Observed: 0.217
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 |
| Shikimate dehydrogenase | 271 | Helicobacter pylori 26695 | Mutation(s): 0 Gene Names: aroE, HP_1249 EC: 1.1.1.25 |  | |
UniProt | |||||
Find proteins for P56119 (Helicobacter pylori (strain ATCC 700392 / 26695)) Explore P56119 Go to UniProtKB: P56119 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P56119 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SKM Query on SKM | C [auth A] | (3R,4S,5R)-3,4,5-TRIHYDROXYCYCLOHEX-1-ENE-1-CARBOXYLIC ACID C7 H10 O5 JXOHGGNKMLTUBP-HSUXUTPPSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.85 Å
- R-Value Free: 0.260
- R-Value Work: 0.214
- R-Value Observed: 0.217
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 63.118 | α = 90 |
| b = 71.87 | β = 90 |
| c = 176.388 | γ = 90 |
| Software Name | Purpose |
|---|---|
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| ADSC | data collection |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| MOLREP | phasing |
Entry History
Deposition Data
- Released Date: 2013-01-30 Deposition Author(s): Cheng, W.C., Chen, T.J., Wang, W.C.
Revision History (Full details and data files)
- Version 1.0: 2013-01-30
Type: Initial release - Version 1.1: 2023-09-13
Changes: Data collection, Database references, Derived calculations, Refinement description
