Download MendeleySTRUCTURE OF HI0827, A THIOESTERASE ACTING ON SHORT-CHAIN ACYL-COA COMPOUNDS
Willis, M.A., Zhuang, Z., Song, F., Howard, A., Dunaway-Mariano, D., Herzberg, O.To be published.
1YLI
Crystal structure of HI0827, a hexameric broad specificity acyl-coenzyme A thioesterase
- PDB DOI: https://doi.org/10.2210/pdb1YLI/pdb
- Entry: 1YLI supersedes: 1NNG
- Classification: HYDROLASE
- Organism(s): Haemophilus influenzae
- Expression System: Escherichia coli BL21(DE3)
- Mutation(s): No
- Deposited: 2005-01-19 Released: 2005-02-01
Experimental Data Snapshot
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.227
- R-Value Work: 0.180
- R-Value Observed: 0.184
This is version 1.4 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 acyl-CoA thioester hydrolase HI0827 | 153 | Haemophilus influenzae | Mutation(s): 0 Gene Names: YCIA-HAEIN EC: 3.1.2 |  | |
UniProt | |||||
Find proteins for P44886 (Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd)) Explore P44886 Go to UniProtKB: P44886 | |||||
Entity Groups | |||||
| Sequence Clusters | 30% Identity50% Identity70% Identity90% Identity95% Identity100% Identity | ||||
| UniProt Group | P44886 | ||||
Sequence AnnotationsExpand | |||||
| |||||
Small Molecules
| Ligands 3 Unique | |||||
|---|---|---|---|---|---|
| ID | Chains | Name / Formula / InChI Key | 2D Diagram | 3D Interactions | |
| COA Query on COA | E [auth A], H [auth B] | COENZYME A C21 H36 N7 O16 P3 S RGJOEKWQDUBAIZ-IBOSZNHHSA-N |  | ||
| GOL Query on GOL | I [auth B], J [auth B] | GLYCEROL C3 H8 O3 PEDCQBHIVMGVHV-UHFFFAOYSA-N |  | ||
| CA Query on CA | C [auth A], D [auth A], F [auth B], G [auth B] | CALCIUM ION Ca BHPQYMZQTOCNFJ-UHFFFAOYSA-N |  | ||
Experimental Data & Validation
Experimental Data
- Method: X-RAY DIFFRACTION
- Resolution: 1.95 Å
- R-Value Free: 0.227
- R-Value Work: 0.180
- R-Value Observed: 0.184
- Space Group: I 41 3 2
Unit Cell:
| Length ( Å ) | Angle ( ˚ ) |
|---|---|
| a = 163.676 | α = 90 |
| b = 163.676 | β = 90 |
| c = 163.676 | γ = 90 |
| Software Name | Purpose |
|---|---|
| DENZO | data reduction |
| SCALEPACK | data scaling |
| SOLVE | phasing |
| RESOLVE | phasing |
| REFMAC | refinement |
| PDB_EXTRACT | data extraction |
Entry History
Deposition Data
- Released Date: 2005-02-01 Deposition Author(s): Structure 2 Function Project (S2F)
- This entry supersedes: 1NNG
Revision History (Full details and data files)
- Version 1.0: 2005-02-01
Type: Initial release - Version 1.1: 2007-12-17
Changes: Version format compliance - Version 1.2: 2011-07-13
Changes: Advisory, Derived calculations, Version format compliance - Version 1.3: 2017-10-11
Changes: Refinement description - Version 1.4: 2024-02-14
Changes: Data collection, Database references, Derived calculations
