Download MendeleyThe crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
Lapthorn, A.J., Ner, L., Roszak, A.W.To be published.
6HSA
The crystal structure of type II Dehydroquinase from Butyrivibrio crossotus DSM 2876
- PDB DOI: https://doi.org/10.2210/pdb6HSA/pdb
- Classification: BIOSYNTHETIC PROTEIN
- Organism(s): Eshraghiella crossota DSM 2876
- 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: 0.92 Å
- R-Value Free: 0.120
- R-Value Work: 0.101
- R-Value Observed: 0.102
Starting Model: experimental
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wwPDB Validation 3D Report Full Report
This is version 2.1 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 | Eshraghiella crossota DSM 2876 | Mutation(s): 0 Gene Names: aroQ, BUTYVIB_01550 EC: 4.2.1.10 |  | |
UniProt | |||||
Find proteins for D4S0D1 (Butyrivibrio crossotus DSM 2876) Explore D4S0D1 Go to UniProtKB: D4S0D1 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | D4S0D1 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 5 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ETE Query on ETE | B [auth A] | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL C9 H20 O5 ZNYRFEPBTVGZDN-UHFFFAOYSA-N |  | ||
| FLC Query on FLC | F [auth A] | CITRATE ANION C6 H5 O7 KRKNYBCHXYNGOX-UHFFFAOYSA-K |  | ||
| SER Query on SER | C [auth A] | SERINE C3 H7 N O3 MTCFGRXMJLQNBG-REOHCLBHSA-N |  | ||
| SO4 Query on SO4 | D [auth A], E [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| GOL Query on GOL | G [auth A] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 0.92 Å
- R-Value Free: 0.120
- R-Value Work: 0.101
- R-Value Observed: 0.102
- Space Group: H 3
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 79.476 | α = 90 |
| b = 79.476 | β = 90 |
| c = 72.033 | γ = 120 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
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 2.0: 2019-10-30
Changes: Advisory, Atomic model, Data collection, Derived calculations - Version 2.1: 2024-01-24
Changes: Data collection, Database references, Refinement description
