[English] 日本語

- PDB-1lo7: X-ray structure of 4-Hydroxybenzoyl CoA Thioesterase complexed wi... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 1lo7 | ||||||
---|---|---|---|---|---|---|---|
Title | X-ray structure of 4-Hydroxybenzoyl CoA Thioesterase complexed with 4-hydroxyphenacyl CoA | ||||||
![]() | 4-hydroxybenzoyl-CoA Thioesterase | ||||||
![]() | HYDROLASE / Thioesterase / hot dog fold / catalytic mechanism | ||||||
Function / homology | ![]() 4-hydroxybenzoyl-CoA thioesterase / 4-hydroxybenzoyl-CoA thioesterase activity Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Thoden, J.B. / Holden, H.M. / Zhuang, Z. / Dunaway-Mariano, D. | ||||||
![]() | ![]() Title: X-ray crystallographic analyses of inhibitor and substrate complexes of wild-type and mutant 4-hydroxybenzoyl-CoA thioesterase. Authors: Thoden, J.B. / Holden, H.M. / Zhuang, Z. / Dunaway-Mariano, D. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 48.8 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 32.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 764.6 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 770.5 KB | Display | |
Data in XML | ![]() | 11.1 KB | Display | |
Data in CIF | ![]() | 15.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 1lo8C ![]() 1lo9C ![]() 1bvqS C: citing same article ( S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 16140.452 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() References: UniProt: P56653, 4-hydroxybenzoyl-CoA thioesterase | ||
---|---|---|---|
#2: Chemical | ChemComp-4CO / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.06 Å3/Da / Density % sol: 40.22 % | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Crystal grow | Temperature: 277 K / Method: batch / pH: 5 Details: PEG 8000, potassium chloride, succinate, 4-hydroxyphenacyl CoA, pH 5.0, batch at 277K | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 4 R.T. / pH: 7 / Method: sparse matrix screening | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
|
-Data collection
Diffraction | Mean temperature: 110 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: SBC-2 / Detector: CCD / Date: Mar 28, 2001 |
Radiation | Monochromator: SAGITALLY FOCUSED Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.981 Å / Relative weight: 1 |
Reflection | Resolution: 1.5→30 Å / Num. all: 20139 / Num. obs: 20139 / % possible obs: 94.1 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 / Redundancy: 5.3 % / Rsym value: 0.038 / Net I/σ(I): 30.6 |
Reflection shell | Resolution: 1.5→1.55 Å / Redundancy: 3.4 % / Mean I/σ(I) obs: 4 / Num. unique all: 1828 / Rsym value: 0.173 / % possible all: 87 |
Reflection | *PLUS Rmerge(I) obs: 0.038 |
Reflection shell | *PLUS % possible obs: 87 % / Num. unique obs: 1828 / Rmerge(I) obs: 0.173 |
-
Processing
Software |
| |||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1BVQ Resolution: 1.5→30 Å / σ(F): 0 / σ(I): 0 / Stereochemistry target values: Engh & Huber
| |||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.5→30 Å
| |||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||
Refinement | *PLUS Num. reflection obs: 18125 / Rfactor all: 0.163 / Rfactor Rfree: 0.198 / Rfactor Rwork: 0.161 | |||||||||||||||||||||||||
Solvent computation | *PLUS | |||||||||||||||||||||||||
Displacement parameters | *PLUS | |||||||||||||||||||||||||
Refine LS restraints | *PLUS
|