Download MendeleyMutation of the conserved serine in two PurE classes
Sullivan, K.L., Kappock, T.J.To be published.
5BOS
Structure of Acetobacter aceti PurE-S57C, partly oxidized form
- PDB DOI: https://doi.org/10.2210/pdb5BOS/pdb
- Classification: ISOMERASE
- Organism(s): Acetobacter aceti 1023
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2015-05-27 Released: 2016-06-15
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.71 Å
- R-Value Free: 0.161
- R-Value Work: 0.135
- R-Value Observed: 0.136
Starting Model: experimental
View more details
wwPDB Validation 3D Report Full Report
This is version 1.2 of the entry. See complete history.
Literature
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 | |||||
| |||||
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 2 | |||||
|---|---|---|---|---|---|
| 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 | |
| SO4 Query on SO4 | H [auth B] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
| EDO Query on EDO | E [auth B], G [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| ACT Query on ACT | C [auth A], F [auth B] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
| CL Query on CL | D [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| Modified Residues 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| OCS Query on OCS | A | L-PEPTIDE LINKING | C3 H7 N O5 S |  | CYS |
| CSX Query on CSX | B | L-PEPTIDE LINKING | C3 H7 N O3 S |  | CYS |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.71 Å
- R-Value Free: 0.161
- R-Value Work: 0.135
- R-Value Observed: 0.136
- Space Group: I 4 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 99.584 | α = 90 |
| b = 99.584 | β = 90 |
| c = 164.702 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2016-06-15 Deposition Author(s): Sullivan, K.L., Kappock, T.J.
Revision History (Full details and data files)
- Version 1.0: 2016-06-15
Type: Initial release - Version 1.1: 2023-09-27
Changes: Data collection, Database references, Derived calculations, Refinement description - Version 1.2: 2023-11-15
Changes: Data collection
