Download MendeleyCrystal structure of a enoyl-CoA hydratase from Shewanella pealeana ATCC 700345
Kumaran, D., Almo, S.C., Swaminathan, S.To be published.
4KPK
Crystal structure of a enoyl-CoA hydratase from Shewanella pealeana ATCC 700345
- PDB DOI: https://doi.org/10.2210/pdb4KPK/pdb
- Classification: ISOMERASE
- Organism(s): Shewanella pealeana ATCC 700345
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2013-05-13 Released: 2013-05-22
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.09 Å
- R-Value Free: 0.228
- R-Value Work: 0.168
- R-Value Observed: 0.171
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 | 314 | Shewanella pealeana ATCC 700345 | Mutation(s): 0 Gene Names: Spea_2799 |  | |
UniProt | |||||
Find proteins for A8H6D2 (Shewanella pealeana (strain ATCC 700345 / ANG-SQ1)) Explore A8H6D2 Go to UniProtKB: A8H6D2 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A8H6D2 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| EDO Query on EDO | B [auth A] | 1,2-ETHANEDIOL C2 H6 O2 LYCAIKOWRPUZTN-UHFFFAOYSA-N |  | ||
| Modified Residues 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Type | Formula | 2D Diagram | Parent |
| MSE Query on MSE | A | L-PEPTIDE LINKING | C5 H11 N O2 Se |  | MET |
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.09 Å
- R-Value Free: 0.228
- R-Value Work: 0.168
- R-Value Observed: 0.171
- Space Group: H 3
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 106.254 | α = 90 |
| b = 106.254 | β = 90 |
| c = 61.725 | γ = 120 |
| Software Name | Purpose |
|---|---|
| CBASS | data collection |
| SHELXD | phasing |
| SHELXE | model building |
| ARP/wARP | model building |
| Coot | model building |
| REFMAC | refinement |
| HKL-2000 | data reduction |
| HKL-2000 | data scaling |
Entry History
Deposition Data
- Released Date: 2013-05-22 Deposition Author(s): Kumaran, D., Chamala, S., Evans, B., Foti, R., 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: 2013-05-22
Type: Initial release
