Download MendeleyThe Crystal Structure of Prephenate dehydratase in complex with L-Phe from Arthrobacter aurescens to 2.0A
Stein, A.J., Chhor, G., Buck, K., Joachimiak, A.To be published.
3MWB
The Crystal Structure of Prephenate dehydratase in complex with L-Phe from Arthrobacter aurescens to 2.0A
- PDB DOI: https://doi.org/10.2210/pdb3MWB/pdb
- Classification: LYASE
- Organism(s): Paenarthrobacter aurescens TC1
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2010-05-05 Released: 2010-06-30
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.246
- R-Value Work: 0.210
- R-Value Observed: 0.212
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 |
| Prephenate dehydratase | 313 | Paenarthrobacter aurescens TC1 | Mutation(s): 0 Gene Names: pheA, AAur_0101 EC: 4.2.1.51 |  | |
UniProt | |||||
Find proteins for A1R118 (Paenarthrobacter aurescens (strain TC1)) Explore A1R118 Go to UniProtKB: A1R118 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A1R118 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| PHE Query on PHE | C [auth B], D [auth B] | PHENYLALANINE C9 H11 N O2 COLNVLDHVKWLRT-QMMMGPOBSA-N |  | ||
| MG Query on MG | E [auth B] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.246
- R-Value Work: 0.210
- R-Value Observed: 0.212
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 84.12 | α = 90 |
| b = 107.155 | β = 90 |
| c = 137.692 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
| SBC-Collect | data collection |
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| SHELX | phasing |
| MLPHARE | phasing |
| DM | phasing |
| RESOLVE | phasing |
| Coot | model building |
Entry History
Deposition Data
- Released Date: 2010-06-30 Deposition Author(s): Stein, A.J., Chhor, G., Buck, K., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2010-06-30
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2012-06-20
Changes: Structure summary - Version 1.3: 2017-11-08
Changes: Refinement description
