Download MendeleyCrystal structure of betaine aldehyde dehydrogenase from Agrobacterium tumefaciens
Agarwal, R., Almo, S.C., Swaminathan, S.To be published.
3R31
Crystal structure of betaine aldehyde dehydrogenase from Agrobacterium tumefaciens
- PDB DOI: https://doi.org/10.2210/pdb3R31/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Agrobacterium fabrum str. C58
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2011-03-15 Released: 2011-04-06
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.15 Å
- R-Value Free: 0.245
- R-Value Work: 0.194
- R-Value Observed: 0.197
wwPDB Validation 3D Report Full Report
This is version 1.3 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 |
| Betaine aldehyde dehydrogenase | 517 | Agrobacterium fabrum str. C58 | Mutation(s): 0 Gene Names: betB, Atu0829, AGR_C_1515 EC: 1.2.1.8 |  | |
UniProt | |||||
Find proteins for Q8UH56 (Agrobacterium fabrum (strain C58 / ATCC 33970)) Explore Q8UH56 Go to UniProtKB: Q8UH56 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q8UH56 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| EDO Query on EDO | C [auth A], D [auth B] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.15 Å
- R-Value Free: 0.245
- R-Value Work: 0.194
- R-Value Observed: 0.197
- Space Group: P 31 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 98.879 | α = 90 |
| b = 98.879 | β = 90 |
| c = 174.578 | γ = 120 |
| Software Name | Purpose |
|---|---|
| CBASS | data collection |
| SHELXD | phasing |
| SHARP | phasing |
| ARP/wARP | model building |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2011-04-06 Deposition Author(s): Agarwal, R., Almo, S.C., Swaminathan, S., New York Structural Genomics Research Consortium (NYSGRC)
Revision History (Full details and data files)
- Version 1.0: 2011-04-06
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2017-11-08
Changes: Refinement description - Version 1.3: 2024-02-21
Changes: Data collection, Database references, Derived calculations
