3AI3
The crystal structure of L-Sorbose reductase from Gluconobacter frateurii complexed with NADPH and L-sorbose
- PDB DOI: https://doi.org/10.2210/pdb3AI3/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Gluconobacter frateurii
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2010-05-07 Released: 2011-02-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.249
- R-Value Work: 0.212
- R-Value Observed: 0.214
This is version 1.4 of the entry. See complete history.
Macromolecules
Find similar proteins by:
(by identity cutoff) | 3D Structure
Entity ID: 1 | |||||
|---|---|---|---|---|---|
| Molecule | Chains | Sequence Length | Organism | Details | Image |
| NADPH-sorbose reductase | A, B [auth C], C [auth E], D [auth G] | 263 | Gluconobacter frateurii | Mutation(s): 1 Gene Names: sboA EC: 1.1.1.289 |  |
UniProt | |||||
Find proteins for A4PB64 (Gluconobacter frateurii) Explore A4PB64 Go to UniProtKB: A4PB64 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A4PB64 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NDP Query on NDP | E [auth A], G [auth C], I [auth E], M [auth G] | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE C21 H30 N7 O17 P3 ACFIXJIJDZMPPO-NNYOXOHSSA-N |  | ||
| SOE Query on SOE | K [auth E], O [auth G], P [auth G], Q [auth G] | alpha-L-sorbopyranose C6 H12 O6 LKDRXBCSQODPBY-BGPJRJDNSA-N |  | ||
| SOL Query on SOL | F [auth A], H [auth C], J [auth E], L [auth E], N [auth G] | L-sorbose C6 H12 O6 BJHIKXHVCXFQLS-OTWZMJIISA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.249
- R-Value Work: 0.212
- R-Value Observed: 0.214
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 61.04 | α = 90 |
| b = 124.41 | β = 90 |
| c = 124.54 | γ = 90 |
| Software Name | Purpose |
|---|---|
| ADSC | data collection |
| REFMAC | refinement |
| XDS | data reduction |
| XDS | data scaling |
Entry History
Deposition Data
- Released Date: 2011-02-09 Deposition Author(s): Kubota, K., Nagata, K., Okai, M., Miyazono, K., Tanokura, M.
Revision History (Full details and data files)
- Version 1.0: 2011-02-09
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2013-11-20
Changes: Non-polymer description - Version 1.3: 2020-07-29
Type: Remediation
Reason: Carbohydrate remediation
Changes: Data collection, Database references, Derived calculations - Version 1.4: 2023-11-01
Changes: Data collection, Database references, Refinement description, Structure summary
