[English] 日本語
![](img/lk-miru.gif)
- PDB-5szz: Novel Structural Insights into GDP-Mediated Regulation of Acyl-Co... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 5szz | ||||||
---|---|---|---|---|---|---|---|
Title | Novel Structural Insights into GDP-Mediated Regulation of Acyl-CoA Thioesterases | ||||||
![]() | Acyl-CoA hydrolase | ||||||
![]() | HYDROLASE / Thioesterase / Nisseria meningitidis / 4HBT / Acyl-CoA thioesterase / Coenzyme A / GDP | ||||||
Function / homology | ![]() palmitic acid biosynthetic process / acyl-CoA metabolic process / fatty acyl-CoA hydrolase activity / Hydrolases; Acting on ester bonds; Thioester hydrolases / extracellular exosome / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Khandokar, Y.B. / Srivastava, P. / Forwood, J.K. | ||||||
![]() | ![]() Title: Structural insights into GDP-mediated regulation of a bacterial acyl-CoA thioesterase. Authors: Khandokar, Y.B. / Srivastava, P. / Cowieson, N. / Sarker, S. / Aragao, D. / Das, S. / Smith, K.M. / Raidal, S.R. / Forwood, J.K. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 147.3 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 115.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 888.7 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 897.5 KB | Display | |
Data in XML | ![]() | 30.3 KB | Display | |
Data in CIF | ![]() | 40.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5szuC ![]() 5szvC ![]() 5szyC ![]() 5t02C ![]() 5v3aC ![]() 4ienS C: citing same article ( S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
2 | ![]()
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 18012.621 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: ERS514298_01532, ERS514410_00397, ERS514534_01643, ERS514708_01580, ERS514851_00814 Production host: ![]() ![]() References: UniProt: A0A0Y5D4F5, Hydrolases; Acting on ester bonds; Thioester hydrolases #2: Chemical | ChemComp-GDP / #3: Chemical | ChemComp-COA / #4: Chemical | ChemComp-CL / #5: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 4.11 Å3/Da / Density % sol: 70.09 % |
---|---|
Crystal grow | Temperature: 296 K / Method: vapor diffusion, hanging drop / pH: 8.5 / Details: 100 mM Tris pH 8.5 and 2 M ammonium phosphate |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315r / Detector: CCD / Date: Jun 17, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9786 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→34.12 Å / Num. obs: 52676 / % possible obs: 99.97 % / Redundancy: 22 % / Rmerge(I) obs: 0.013 / Net I/σ(I): 40.43 |
Reflection shell | Resolution: 2.3→2.382 Å / Redundancy: 21 % / Rmerge(I) obs: 0.05 / Mean I/σ(I) obs: 14.06 / % possible all: 100 |
-
Processing
Software |
| ||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: 4IEN Resolution: 2.3→34.12 Å / Cor.coef. Fo:Fc: 0.939 / Cor.coef. Fo:Fc free: 0.929 / SU B: 0.001 / SU ML: 0 / Cross valid method: FREE R-VALUE / ESU R: 0.145 / ESU R Free: 0.163 / Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
| ||||||||||||||||||||
Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å | ||||||||||||||||||||
Displacement parameters | Biso mean: 25.362 Å2
| ||||||||||||||||||||
Refinement step | Cycle: 1 / Resolution: 2.3→34.12 Å
| ||||||||||||||||||||
LS refinement shell | Resolution: 2.3→2.36 Å / Total num. of bins used: 20
|