Download MendeleyStructure of a single tryptophan mutant of Acetobacter aceti PurE
Sullivan, K.L., Tranchimand, S., Kappock, T.J.To be published.
5CLJ
Structure of PurE (N5-carboxyaminoimidazole ribonucleotide mutase) H59N from the acidophilic bacterium Acetobacter aceti, complexed with AIR (5-aminoimidazole ribonucleotide) and CO2
- PDB DOI: https://doi.org/10.2210/pdb5CLJ/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: 1.85 ?
- R-Value Free: 0.182
- R-Value Work: 0.151
- R-Value Observed: 0.152
Starting Model: experimental
View more details
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: 2fwp
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 4 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| AIR Query on AIR | C [auth A] | 5-AMINOIMIDAZOLE RIBONUCLEOTIDE C8 H14 N3 O7 P PDACUKOKVHBVHJ-XVFCMESISA-N |  | ||
| CIT Query on CIT | E [auth B] | CITRIC ACID C6 H8 O7 KRKNYBCHXYNGOX-UHFFFAOYSA-N |  | ||
| EDO Query on EDO | F [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| CO2 Query on CO2 | D [auth A] | CARBON DIOXIDE C O2 CURLTUGMZLYLDI-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.85 ?
- R-Value Free: 0.182
- R-Value Work: 0.151
- R-Value Observed: 0.152
- Space Group: I 4 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 98.683 | ¦Á = 90 |
| b = 98.683 | ¦Â = 90 |
| c = 165.59 | ¦Ă = 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
