Download MendeleyCrystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Aeropyrum pernix in complex with Mn2+ and PEP
Shumilin, I.A., Zhou, L., Wu, J., Woodard, R.W., Bauerle, R., Kretsinger, R.H.To be published.
1VS1
Crystal structure of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase (DAHP synthase) from Aeropyrum pernix in complex with Mn2+ and PEP
- PDB DOI: https://doi.org/10.2210/pdb1VS1/pdb
- Classification: TRANSFERASE
- Organism(s): Aeropyrum pernix
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2006-03-09 Released: 2006-05-16
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.218
- R-Value Work: 0.173
- R-Value Observed: 0.176
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 |
| 3-deoxy-7-phosphoheptulonate synthase | 276 | Aeropyrum pernix | Mutation(s): 0 Gene Names: APE0581 EC: 2.5.1.54 |  | |
UniProt | |||||
Find proteins for Q9YEJ7 (Aeropyrum pernix (strain ATCC 700893 / DSM 11879 / JCM 9820 / NBRC 100138 / K1)) Explore Q9YEJ7 Go to UniProtKB: Q9YEJ7 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q9YEJ7 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PEP Query on PEP | F [auth A], H [auth B], J [auth C], L [auth D] | PHOSPHOENOLPYRUVATE C3 H5 O6 P DTBNBXWJWCWCIK-UHFFFAOYSA-N |  | ||
| MN Query on MN | E [auth A], G [auth B], I [auth C], K [auth D] | MANGANESE (II) ION Mn WAEMQWOKJMHJLA-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.30 Å
- R-Value Free: 0.218
- R-Value Work: 0.173
- R-Value Observed: 0.176
- Space Group: P 1 21 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 54.768 | α = 90 |
| b = 130.404 | β = 110.61 |
| c = 78.362 | γ = 90 |
| Software Name | Purpose |
|---|---|
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
| SHELXD | phasing |
| SHELXE | model building |
| MLPHARE | phasing |
| DM | phasing |
| SOLVE | phasing |
| RESOLVE | phasing |
| O | model building |
| Coot | model building |
| CCP4 | phasing |
Entry History
Deposition Data
- Released Date: 2006-05-16 Deposition Author(s): Shumilin, I.A., Zhou, L., Wu, J., Woodard, R.W., Bauerle, R., Kretsinger, R.H.
Revision History (Full details and data files)
- Version 1.0: 2006-05-16
Type: Initial release - Version 1.1: 2008-05-01
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Version format compliance - Version 1.3: 2023-08-23
Changes: Data collection, Database references, Derived calculations, Refinement description
