[English] 日本語
![](img/lk-miru.gif)
- PDB-7agu: Structure of the S726F mutant of AcylTransferase domain of Mycoce... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 7agu | ||||||
---|---|---|---|---|---|---|---|
Title | Structure of the S726F mutant of AcylTransferase domain of Mycocerosic Acid Synthase from Mycobacterium tuberculosis acylated with MethylMalonyl-coenzyme A | ||||||
![]() | Mycocerosic acid synthase | ||||||
![]() | ![]() ![]() ![]() ![]() ![]() | ||||||
Function / homology | ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Brison, Y. / Mourey, L. / Maveyraud, L. | ||||||
Funding support | ![]()
| ||||||
![]() | ![]() Title: Molecular Basis for Extender Unit Specificity of Mycobacterial Polyketide Synthases. Authors: Grabowska, A.D. / Brison, Y. / Maveyraud, L. / Gavalda, S. / Faille, A. / Nahoum, V. / Bon, C. / Guilhot, C. / Pedelacq, J.D. / Chalut, C. / Mourey, L. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 328.8 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 271.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Related structure data | ![]() 7agpSC ![]() 7agqC ![]() 7agrC ![]() 7agsC ![]() 7agtC ![]() 7ahbC ![]() 7akcC S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
2 | ![]()
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 46530.512 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() Strain: ATCC BAA-935 / AF2122/97 / Gene: mas, BQ2027_MB2965C / Production host: ![]() ![]() ![]() ![]() #2: Chemical | ChemComp-DXX / | ![]() #3: Chemical | ChemComp-EDO / | ![]() #4: Water | ChemComp-HOH / | ![]() Has ligand of interest | Y | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 3.66 Å3/Da / Density % sol: 66.36 % |
---|---|
Crystal grow![]() | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4.2 / Details: 1.1 M sodium succinate 0.1 M sodium acetate buffer |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARMOSAIC 225 mm CCD / Detector: CCD / Date: Nov 25, 2011 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 3.1→47.13 Å / Num. obs: 25082 / % possible obs: 99.8 % / Redundancy: 6.2 % / Biso Wilson estimate: 118.1 Å2 / CC1/2: 0.999 / Rmerge(I) obs: 0.091 / Rrim(I) all: 0.099 / Rsym value: 0.091 / Net I/σ(I): 14.3 |
Reflection shell | Resolution: 3.1→3.29 Å / Redundancy: 6.2 % / Rmerge(I) obs: 1.511 / Mean I/σ(I) obs: 1.1 / Num. unique obs: 3968 / CC1/2: 0.542 / Rrim(I) all: 1.648 / Rsym value: 1.511 / % possible all: 99.3 |
-
Processing
Software |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure![]() ![]() Starting model: 7AGP Resolution: 3.1→47.13 Å / Cor.coef. Fo:Fc: 0.956 / Cor.coef. Fo:Fc free: 0.951 / Cross valid method: THROUGHOUT / SU R Blow DPI: 13.31 / SU Rfree Blow DPI: 0.316
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 125.71 Å2
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze | Luzzati coordinate error obs: 0.4 Å | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 3.1→47.13 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 3.1→3.12 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS params. | Refine-ID: X-RAY DIFFRACTION
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement TLS group |
|