Download MendeleyThe crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
Lapthorn, A.J., Ner, L., Roszak, A.W.To be published.
6HSB
The crystal structure of type II Dehydroquinase from Acidithiobacillus caldus SM-1
- PDB DOI: https://doi.org/10.2210/pdb6HSB/pdb
- Classification: BIOSYNTHETIC PROTEIN
- Organism(s): Acidithiobacillus caldus SM-1
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2018-09-29 Released: 2019-10-23
- Funding Organization(s): Engineering and Physical Sciences Research Council
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.190
- R-Value Work: 0.163
- R-Value Observed: 0.164
wwPDB Validation 3D Report Full Report
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-dehydroquinate dehydratase | 145 | Acidithiobacillus caldus SM-1 | Mutation(s): 0 Gene Names: aroQ, Atc_2874 EC: 4.2.1.10 |  | |
UniProt | |||||
Find proteins for F9ZTU4 (Acidithiobacillus caldus (strain SM-1)) Explore F9ZTU4 Go to UniProtKB: F9ZTU4 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | F9ZTU4 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| EPE Query on EPE | D [auth A] | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID C8 H18 N2 O4 S JKMHFZQWWAIEOD-UHFFFAOYSA-N |  | ||
| GOL Query on GOL | B [auth A], C [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.190
- R-Value Work: 0.163
- R-Value Observed: 0.164
- Space Group: F 41 3 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 188.458 | α = 90 |
| b = 188.458 | β = 90 |
| c = 188.458 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2019-10-23 Deposition Author(s): Lapthorn, A.J., Roszak, A.W.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Engineering and Physical Sciences Research Council | United Kingdom | EP/P00086X/1 |
Revision History (Full details and data files)
- Version 1.0: 2019-10-23
Type: Initial release - Version 1.1: 2024-01-24
Changes: Data collection, Database references, Refinement description
