Download MendeleyStructure of a single tryptophan mutant of Acetobacter aceti PurE
Sullivan, K.L., Tranchimand, S., Kappock, T.J.To be published.
5CLH
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium Acetobacter aceti, at pH 8
- PDB DOI: https://doi.org/10.2210/pdb5CLH/pdb
- Classification: ISOMERASE
- Organism(s): Acetobacter aceti 1023
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2015-07-16 Released: 2016-07-27
- Funding Organization(s): Herman Frasch Foundation, National Science Foundation (NSF, United States), Department of Education
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 Å
- R-Value Free: 0.162
- R-Value Work: 0.139
- R-Value Observed: 0.141
Starting Model: experimental
View more details
wwPDB Validation 3D Report Full Report
This is version 1.3 of the entry. See complete history.
Re-refinement Note
This entry reflects an alternative modeling of the original data in: 2fw7
Literature
To be published.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| N5-carboxyaminoimidazole ribonucleotide mutase | 183 | Acetobacter aceti 1023 | Mutation(s): 1 Gene Names: purE, AZ09_02690 EC: 5.4.99.18 |  | |
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| SO4 Query on SO4 | E [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| EDO Query on EDO | D [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| ACT Query on ACT | C [auth B] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.75 Å
- R-Value Free: 0.162
- R-Value Work: 0.139
- R-Value Observed: 0.141
- Space Group: I 4 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 99.329 | α = 90 |
| b = 99.329 | β = 90 |
| c = 164.071 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| SCALEPACK | data scaling |
| PHASER | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2016-07-27 Deposition Author(s): Starks, C.M., Kappock, T.J.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Herman Frasch Foundation | United States | 531-HF02 |
| National Science Foundation (NSF, United States) | United States | MCB0347250 |
| Department of Education | United States | 200A010213 |
Revision History (Full details and data files)
- Version 1.0: 2016-07-27
Type: Initial release - Version 1.1: 2017-09-20
Changes: Author supporting evidence, Derived calculations - Version 1.2: 2019-11-27
Changes: Author supporting evidence - Version 1.3: 2023-09-27
Changes: Data collection, Database references, Refinement description
