Download MendeleyCrystal structure of an enoyl-CoA hydratase/isomerase from Xanthobacter autotrophicus Py2
Eswaramoorthy, S., Almo, S.C., Swaminathan, S.To be published.
4K29
Crystal structure of an enoyl-CoA hydratase/isomerase from Xanthobacter autotrophicus Py2
- PDB DOI: https://doi.org/10.2210/pdb4K29/pdb
- Classification: ISOMERASE
- Organism(s): Xanthobacter autotrophicus Py2
- Expression System: Escherichia coli BL21
- Mutation(s): No
- Deposited: 2013-04-08 Released: 2013-04-24
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.66 Å
- R-Value Free: 0.198
- R-Value Work: 0.181
- R-Value Observed: 0.182
wwPDB Validation 3D Report Full Report
This is version 1.0 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 |
| Enoyl-CoA hydratase/isomerase | 295 | Xanthobacter autotrophicus Py2 | Mutation(s): 0 Gene Names: Xaut_3350 |  | |
UniProt | |||||
Find proteins for A7IKN6 (Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2)) Explore A7IKN6 Go to UniProtKB: A7IKN6 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A7IKN6 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 2 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| TLA Query on TLA | D [auth A], F [auth C], G [auth C] | L(+)-TARTARIC ACID C4 H6 O6 FEWJPZIEWOKRBE-JCYAYHJZSA-N |  | ||
| GOL Query on GOL | E [auth A], H [auth C] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A, B, C | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.66 Å
- R-Value Free: 0.198
- R-Value Work: 0.181
- R-Value Observed: 0.182
- Space Group: C 2 2 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 115.052 | α = 90 |
| b = 144.576 | β = 90 |
| c = 129.568 | γ = 90 |
| Software Name | Purpose |
|---|---|
| CBASS | data collection |
| SHELXS | phasing |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2013-04-24 Deposition Author(s): Eswaramoorthy, S., Chamala, S., Evans, B., Foti, F., Gizzi, A., Hillerich, B., Kar, A., Lafleur, J., Seidel, R., Villigas, G., Zencheck, W., Al Obaidi, N., Almo, S.C., Swaminathan, S., New York Structural Genomics Research Consortium (NYSGRC)
Revision History (Full details and data files)
- Version 1.0: 2013-04-24
Type: Initial release
