Download MendeleyCrystal structure of a short chain dehydrogenase/reductase SDR from Burkholderia phymatum in complex with NAD
Mayclin, S.J., Dranow, D.M., Lorimer, D.D., Edwards, T.E.To be published.
5IG2
Crystal structure of a short chain dehydrogenase/reductase SDR from Burkholderia phymatum in complex with NAD
- PDB DOI: https://doi.org/10.2210/pdb5IG2/pdb
- Classification: OXIDOREDUCTASE
- Organism(s): Paraburkholderia phymatum STM815
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2016-02-26 Released: 2016-06-15
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.177
- R-Value Work: 0.141
- R-Value Observed: 0.142
This is version 1.1 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 |
| Short-chain dehydrogenase/reductase SDR | 297 | Paraburkholderia phymatum STM815 | Mutation(s): 0 Gene Names: Bphy_1038 |  | |
UniProt | |||||
Find proteins for B2JGP2 (Paraburkholderia phymatum (strain DSM 17167 / CIP 108236 / LMG 21445 / STM815)) Explore B2JGP2 Go to UniProtKB: B2JGP2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | B2JGP2 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAD Query on NAD | D [auth A], F [auth B], H [auth C] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
| ACT Query on ACT | E [auth A], G [auth B], I [auth C] | ACETATE ION C2 H3 O2 QTBSBXVTEAMEQO-UHFFFAOYSA-M |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.80 Å
- R-Value Free: 0.177
- R-Value Work: 0.141
- R-Value Observed: 0.142
- Space Group: C 2 2 21
- Diffraction Data: https://doi.org/10.18430/M35IG2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 83.52 | α = 90 |
| b = 187.79 | β = 90 |
| c = 108.26 | γ = 90 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| XSCALE | data scaling |
| MOLREP | phasing |
| PDB_EXTRACT | data extraction |
| Coot | model building |
| XDS | data reduction |
Entry History
Deposition Data
- Released Date: 2016-06-15 Deposition Author(s): Seattle Structural Genomics Center for Infectious Disease (SSGCID)
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
