Download MendeleyCrystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate.
Fedorov, A.A., Fedorov, E.V., Yew, W.S., Burley, S.K., Gerlt, J.A., Almo, S.C.To be published.
3CB3
Crystal structure of L-Talarate dehydratase from Polaromonas sp. JS666 complexed with Mg and L-glucarate
- PDB DOI: https://doi.org/10.2210/pdb3CB3/pdb
- Classification: ISOMERASE
- Organism(s): Polaromonas sp. JS666
- Expression System: Escherichia coli
- Mutation(s): No
- Deposited: 2008-02-21 Released: 2008-03-04
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.239
- R-Value Work: 0.210
- R-Value Observed: 0.210
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 |
| Mandelate racemase/muconate lactonizing enzyme | 393 | Polaromonas sp. JS666 | Mutation(s): 0 Gene Names: Bpro_0435 |  | |
UniProt | |||||
Find proteins for Q12GE3 (Polaromonas sp. (strain JS666 / ATCC BAA-500)) Explore Q12GE3 Go to UniProtKB: Q12GE3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q12GE3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| LGT Query on LGT | G [auth A], J [auth B], M [auth C], P [auth D] | L-GLUCARIC ACID C6 H10 O8 DSLZVSRJTYRBFB-AJSXGEPRSA-N |  | ||
| MG Query on MG | E [auth A] F [auth A] H [auth B] I [auth B] K [auth C] | MAGNESIUM ION Mg JLVVSXFLKOJNIY-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.00 Å
- R-Value Free: 0.239
- R-Value Work: 0.210
- R-Value Observed: 0.210
- Space Group: C 1 2 1
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 195.466 | α = 90 |
| b = 84.739 | β = 126.04 |
| c = 118.247 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CNS | refinement |
| ADSC | data collection |
| DENZO | data reduction |
| SCALEPACK | data scaling |
| SOLVE | phasing |
Entry History
Deposition Data
- Released Date: 2008-03-04 Deposition Author(s): Fedorov, A.A., Fedorov, E.V., Yew, W.S., Burley, S.K., Gerlt, J.A., Almo, S.C., New York SGX Research Center for Structural Genomics (NYSGXRC)
Revision History (Full details and data files)
- Version 1.0: 2008-03-04
Type: Initial release - Version 1.1: 2011-07-13
Changes: Source and taxonomy, Version format compliance - Version 1.2: 2021-02-03
Changes: Database references, Derived calculations, Structure summary - Version 1.3: 2024-02-21
Changes: Data collection, Database references
