Download MendeleyStabilization of Haloalkane Dehalogenase Structure by Interfacial Interaction with Ionic Liquids
Shaposhnikova, A., Kuty, M., Chaloupkova, R., Damborsky, J., Kuta Smatanova, I., Minofar, B., Prudnikova, T.(2021) Crystals (Basel) 11
7O3O
Structure of haloalkane dehalogenase mutant DhaA80(T148L, G171Q, A172V, C176F) from Rhodococcus rhodochrous with ionic liquid
- PDB DOI: https://doi.org/10.2210/pdb7O3O/pdb
- Classification: HYDROLASE
- Organism(s): Rhodococcus rhodochrous
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2021-04-02 Released: 2021-09-08
- Funding Organization(s): Grant Agency of the Czech Republic, German Federal Ministry for Education and Research, European Regional Development Fund, Ministry of Education (MoE, Czech Republic)
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.25 ?
- R-Value Free: 0.153
- R-Value Work: 0.125
- R-Value Observed: 0.126
Starting Model: experimental
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This is version 2.1 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 |
| Haloalkane dehalogenase | 299 | Rhodococcus rhodochrous | Mutation(s): 4 Gene Names: dhaA EC: 3.8.1.5 |  | |
UniProt | |||||
Find proteins for P0A3G2 (Rhodococcus rhodochrous) Explore P0A3G2 Go to UniProtKB: P0A3G2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0A3G2 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| ETA (Subject of Investigation/LOI) Query on ETA | B [auth A] | ETHANOLAMINE C2 H7 N O HZAXFHJVJLSVMW-UHFFFAOYSA-N |  | ||
| CL Query on CL | C [auth A] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.25 ?
- R-Value Free: 0.153
- R-Value Work: 0.125
- R-Value Observed: 0.126
- Space Group: P 21 21 21
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 52.315 | ¦Á = 90 |
| b = 69.954 | ¦Â = 90 |
| c = 83.816 | ¦Ă = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| XDS | data reduction |
| XDS | data scaling |
| MOLREP | phasing |
Entry History & Funding Information
Deposition Data
- Released Date: 2021-09-08 Deposition Author(s): Shaposhnikova, A., Prudnikova, T., Kuta Smatanova, I.
| Funding Organization | Location | Grant Number |
|---|---|---|
| Grant Agency of the Czech Republic | Czech Republic | 17-24321S |
| German Federal Ministry for Education and Research | Germany | DAAD-16-09 |
| European Regional Development Fund | Czech Republic | CZ.02.1.01/0.0/0.0/15_003/0000441 |
| European Regional Development Fund | Czech Republic | CZ.02.1.01/0.0/0.0/16_019/0000778 |
| European Regional Development Fund | Czech Republic | LM2015047 |
| European Regional Development Fund | Czech Republic | LM2018121 |
| Ministry of Education (MoE, Czech Republic) | Czech Republic | CZ.02.1.01/0.0/0.0/16_026/0008451 |
Revision History (Full details and data files)
- Version 1.0: 2021-09-08
Type: Initial release - Version 1.1: 2021-09-15
Changes: Database references - Version 2.0: 2023-11-15
Changes: Atomic model, Data collection - Version 2.1: 2024-01-31
Changes: Refinement description
