Download MendeleyCrystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with Decanoyl-CoA
Watanabe, N., Center for Structural Genomics of Infectious Diseases (CSGID)To be published.
5T07
Crystal structure of a putative acyl-CoA thioesterase EC709/ECK0725 from Escherichia coli in complex with Decanoyl-CoA
- PDB DOI: https://doi.org/10.2210/pdb5T07/pdb
- Classification: HYDROLASE
- Organism(s): Escherichia coli O157:H7
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): Yes
- Deposited: 2016-08-15 Released: 2016-09-07
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.72 Å
- R-Value Free: 0.203
- R-Value Work: 0.171
- R-Value Observed: 0.173
Starting Model: experimental
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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 |
| Acyl-CoA thioester hydrolase YbgC | 134 | Escherichia coli O157:H7 | Mutation(s): 1 Gene Names: ybgC, Z0904, ECs0771 EC: 3.1.2 |  | |
UniProt | |||||
Find proteins for P0A8Z3 (Escherichia coli (strain K12)) Explore P0A8Z3 Go to UniProtKB: P0A8Z3 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P0A8Z3 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 1 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| MFK Query on MFK | E [auth A], F [auth C], G [auth D] | decanoyl-CoA C31 H54 N7 O17 P3 S CNKJPHSEFDPYDB-HSJNEKGZSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.72 Å
- R-Value Free: 0.203
- R-Value Work: 0.171
- R-Value Observed: 0.173
- Space Group: P 21 21 21
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 63.923 | α = 90 |
| b = 97.12 | β = 90 |
| c = 97.696 | γ = 90 |
| Software Name | Purpose |
|---|---|
| HKL-3000 | data reduction |
| HKL-3000 | data scaling |
| PHENIX | refinement |
| PDB_EXTRACT | data extraction |
| Coot | model building |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2016-09-07 Deposition Author(s): Watanabe, N., Stogios, P.J., Skarina, T., Di Leo, R., Savchenko, A., Anderson, W.F., Center for Structural Genomics of Infectious Diseases (CSGID)
Revision History (Full details and data files)
- Version 1.0: 2016-09-07
Type: Initial release - Version 1.1: 2016-12-28
Changes: Database references - Version 1.2: 2023-10-04
Changes: Data collection, Database references, Refinement description, Structure summary
