Download MendeleyCharacterization of the Active Site of UDP-sulfoquinovose Synthase: Formation of the Sulfonic Acid Product in the Crystalline State.
Theisen, M.J., Sanda, S.L., Ginell, S.L., Benning, C., Garavito, R.M.To be published.
1I2C
CRYSTAL STRUCTURE OF MUTANT T145A SQD1 PROTEIN COMPLEX WITH NAD AND UDP-GLUCOSE
- PDB DOI: https://doi.org/10.2210/pdb1I2C/pdb
- Classification: BIOSYNTHETIC PROTEIN
- Organism(s): Arabidopsis thaliana
- Expression System: Escherichia coli
- Mutation(s): Yes
- Deposited: 2001-02-07 Released: 2003-07-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.185
- R-Value Work: 0.177
Starting Model: experimental
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This is version 1.6 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 |
| SULFOLIPID BIOSYNTHESIS PROTEIN SQD1 | 404 | Arabidopsis thaliana | Mutation(s): 1 Gene Names: SQD1 EC: 3.13.1.1 |  | |
UniProt | |||||
Find proteins for O48917 (Arabidopsis thaliana) Explore O48917 Go to UniProtKB: O48917 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | O48917 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| NAD Query on NAD | D [auth A] | NICOTINAMIDE-ADENINE-DINUCLEOTIDE C21 H27 N7 O14 P2 BAWFJGJZGIEFAR-NNYOXOHSSA-N |  | ||
| UPG Query on UPG | E [auth A] | URIDINE-5'-DIPHOSPHATE-GLUCOSE C15 H24 N2 O17 P2 HSCJRCZFDFQWRP-JZMIEXBBSA-N |  | ||
| SO4 Query on SO4 | B [auth A], C [auth A] | SULFATE ION O4 S QAOWNCQODCNURD-UHFFFAOYSA-L |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.60 Å
- R-Value Free: 0.185
- R-Value Work: 0.177
- Space Group: I 41 2 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 159.682 | α = 90 |
| b = 159.682 | β = 90 |
| c = 99.038 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CrystalClear | data collection |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| CCP4 | data reduction |
| CNS | refinement |
| CrystalClear | data reduction |
| CCP4 | data scaling |
| CNS | phasing |
Entry History
Deposition Data
- Released Date: 2003-07-01 Deposition Author(s): Theisen, M.J., Sanda, S.L., Ginell, S.L., Benning, C., Garavito, R.M.
Revision History (Full details and data files)
- Version 1.0: 2003-07-01
Type: Initial release - Version 1.1: 2008-04-27
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Derived calculations, Version format compliance - Version 1.3: 2011-11-16
Changes: Atomic model - Version 1.4: 2018-04-04
Changes: Data collection - Version 1.5: 2021-10-27
Changes: Database references, Derived calculations - Version 1.6: 2023-08-09
Changes: Data collection, Refinement description
