Download MendeleyCrystal structure of a putative 4-hydroxy-2-oxoglutarate aldolase from Bacillus cereus
Cabello, R., Chruszcz, M., Xu, X., Zimmerman, M.D., Cui, H., Savchenko, A., Edwards, A., Joachimiak, A., Minor, W.To be published.
3N73
Crystal structure of a putative 4-hydroxy-2-oxoglutarate aldolase from Bacillus cereus
- PDB DOI: https://doi.org/10.2210/pdb3N73/pdb
- Classification: LYASE
- Organism(s): Bacillus cereus ATCC 10987
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2010-05-26 Released: 2010-06-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.07 Å
- R-Value Free: 0.221
- R-Value Work: 0.169
- R-Value Observed: 0.172
wwPDB Validation 3D Report Full Report
This is version 1.2 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 |
| Putative 4-hydroxy-2-oxoglutarate aldolase | 251 | Bacillus cereus ATCC 10987 | Mutation(s): 0 Gene Names: BCE_5001 |  | |
UniProt | |||||
Find proteins for Q72YM0 (Bacillus cereus (strain ATCC 10987 / NRS 248)) Explore Q72YM0 Go to UniProtKB: Q72YM0 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | Q72YM0 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| CL Query on CL | C [auth A], D [auth A], E [auth B] | CHLORIDE ION Cl VEXZGXHMUGYJMC-UHFFFAOYSA-M |  | ||
| 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: 2.07 Å
- R-Value Free: 0.221
- R-Value Work: 0.169
- R-Value Observed: 0.172
- Space Group: P 21 21 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 81.066 | α = 90 |
| b = 166.644 | β = 90 |
| c = 37.279 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-3000 | data collection |
| HKL-3000 | phasing |
| MLPHARE | phasing |
| DM | model building |
| SHELXD | phasing |
| RESOLVE | model building |
| ARP/wARP | model building |
| REFMAC | refinement |
| Coot | model building |
| HKL-3000 | data reduction |
| HKL-2000 | data scaling |
| DM | phasing |
| RESOLVE | phasing |
Entry History
Deposition Data
- Released Date: 2010-06-09 Deposition Author(s): Cabello, R., Chruszcz, M., Xu, X., Zimmerman, M.D., Cui, H., Savchenko, A., Edwards, A., Joachimiak, A., Minor, W., Midwest Center for Structural Genomics (MCSG)
Revision History (Full details and data files)
- Version 1.0: 2010-06-09
Type: Initial release - Version 1.1: 2011-07-13
Changes: Version format compliance - Version 1.2: 2022-04-13
Changes: Database references, Derived calculations, Structure summary
