Download MendeleyCrystal structure of aldo-keto reductase from Polaromonas sp. JS666
Gasiorowska, O.A., Handing, K.B., Shabalin, I.G., Sroka, P., Minor, W.To be published.
4XK2
Crystal structure of aldo-keto reductase from Polaromonas sp. JS666
- PDB DOI: https://doi.org/10.2210/pdb4XK2/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Polaromonas sp. JS666
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2015-01-09 Released: 2015-01-21
- Funding Organization(s): National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.185
- R-Value Work: 0.161
- R-Value Observed: 0.162
wwPDB Validation 3D Report Full Report
This is version 1.4 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 |
| Aldo/keto reductase | 344 | Polaromonas sp. JS666 | Mutation(s): 0 Gene Names: Bpro_4249 |  | |
UniProt | |||||
Find proteins for Q124A1 (Polaromonas sp. (strain JS666 / ATCC BAA-500)) Explore Q124A1 Go to UniProtKB: Q124A1 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q124A1 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CL Query on CL | D [auth A], E [auth A], G [auth B], I [auth C], J [auth C] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| NA Query on NA | F [auth A], H [auth B], K [auth C] | SODIUM ION Na FKNQFGJONOIPTF-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.90 Å
- R-Value Free: 0.185
- R-Value Work: 0.161
- R-Value Observed: 0.162
- Space Group: I 4 2 2
- Diffraction Data: https://doi.org/10.18430/M37597
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 105.11 | α = 90 |
| b = 105.11 | β = 90 |
| c = 479.569 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-3000 | data collection |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| HKL-3000 | phasing |
| MOLREP | phasing |
| Coot | model building |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
Entry History & Funding Information
Deposition Data
- Released Date: 2015-01-21 Deposition Author(s): Gasiorowska, O.A., Handing, K.B., Shabalin, I.G., Sroka, P., Hillerich, B.S., Bonanno, J., Seidel, R., Almo, S.C., Minor, W., New York Structural Genomics Research Consortium (NYSGRC)
| Funding Organization | Location | Grant Number |
|---|---|---|
| National Institutes of Health/National Institute of General Medical Sciences (NIH/NIGMS) | United States | U54-GM094662 |
Revision History (Full details and data files)
- Version 1.0: 2015-01-21
Type: Initial release - Version 1.1: 2017-09-20
Changes: Advisory, Author supporting evidence, Derived calculations, Refinement description, Source and taxonomy, Structure summary - Version 1.2: 2020-01-01
Changes: Author supporting evidence - Version 1.3: 2022-04-13
Changes: Database references, Derived calculations, Structure summary - Version 1.4: 2023-09-27
Changes: Data collection, Refinement description
