Download MendeleyThe structural and biochemical characterization of acyl-coa hydrolase from Staphylococcus aureus
Khandokar, Y.B., Srivastava, P.S., Forwood, J.K.To be published.
5EGL
The structural and biochemical characterization of acyl-coa hydrolase from Staphylococcus aureus in complex with Butyryl Coenzyme A, Coenzyme A, and Coenzyme A disulfide
- PDB DOI: https://doi.org/10.2210/pdb5EGL/pdb
- Classification: HYDROLASE
- Organism(s): Staphylococcus aureus subsp. aureus Mu50
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2015-10-27 Released: 2016-11-09
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.246
- R-Value Work: 0.212
- R-Value Observed: 0.214
Starting Model: experimental
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This is version 1.1 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 Hydrolase | 176 | Staphylococcus aureus subsp. aureus Mu50 | Mutation(s): 0 Gene Names: SAV1878 |  | |
UniProt | |||||
Find proteins for A0A0H3K033 (Staphylococcus aureus (strain Mu50 / ATCC 700699)) Explore A0A0H3K033 Go to UniProtKB: A0A0H3K033 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | A0A0H3K033 | ||||
Sequence AnnotationsExpand | |||||
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Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| 5NG Query on 5NG | F [auth C] | [[(2~{S},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-4-[[3-[2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] hydrogen phosphate C42 H70 N14 O32 P6 S2 YAISMNQCMHVVLO-BJLFRJKCSA-N |  | ||
| BCO Query on BCO | D [auth A] | Butyryl Coenzyme A C25 H42 N7 O17 P3 S CRFNGMNYKDXRTN-CITAKDKDSA-N |  | ||
| COA Query on COA | E [auth B] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 2.10 ?
- R-Value Free: 0.246
- R-Value Work: 0.212
- R-Value Observed: 0.214
- Space Group: P 65 2 2
Unit Cell:
| Length ( ? ) | Angle ( ? ) |
|---|---|
| a = 142.26 | ¦Á = 90 |
| b = 142.26 | ¦Â = 90 |
| c = 163.892 | ¦Ă = 120 |
| Software Name | Purpose |
|---|---|
| PHENIX | refinement |
| iMOSFLM | data reduction |
| Aimless | data scaling |
| PHASER | phasing |
Entry History
Deposition Data
- Released Date: 2016-11-09 Deposition Author(s): Khandokar, Y.B., Srivastava, P.S., Forwood, J.K.
Revision History (Full details and data files)
- Version 1.0: 2016-11-09
Type: Initial release - Version 1.1: 2023-09-27
Changes: Data collection, Database references, Derived calculations, Refinement description
