[English] 日本語
![](img/lk-miru.gif)
- PDB-3cn9: Crystal Structure Analysis of the Carboxylesterase PA3859 from Ps... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 3cn9 | ||||||
---|---|---|---|---|---|---|---|
Title | Crystal Structure Analysis of the Carboxylesterase PA3859 from Pseudomonas aeruginosa PAO1- orthorhombic crystal form | ||||||
![]() | Carboxylesterase | ||||||
![]() | HYDROLASE / alpha/beta hydrolase fold super-family | ||||||
Function / homology | Phospholipase/carboxylesterase/thioesterase / Phospholipase/Carboxylesterase / carboxylic ester hydrolase activity / Alpha/Beta hydrolase fold, catalytic domain / Alpha/Beta hydrolase fold / Rossmann fold / 3-Layer(aba) Sandwich / Alpha Beta / Carboxylesterase![]() | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Lamba, D. / Pesaresi, A. | ||||||
![]() | ![]() Title: Insights into the fatty acid chain length specificity of the carboxylesterase PA3859 from Pseudomonas aeruginosa: A combined structural, biochemical and computational study. Authors: Pesaresi, A. / Lamba, D. #1: ![]() Title: Isolation, Characterization, and Heterologous Expression of a Carboxylesterase of Pseudomonas aeruginosa PAO1 Authors: Pesaresi, A. / Devescovi, G. / Lamba, D. / Venturi, V. / Degrassi, G. #2: ![]() Title: Crystallization, X-ray Diffraction Analysis and Phasing of Carboxylesterase PA3859 from Pseudomonas aeruginosa Authors: Pesaresi, A. / Lamba, D. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 103.4 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 78.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
---|
-Related structure data
Related structure data | ![]() 3cn7C ![]() 1auoS S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 | ![]()
| ||||||||
2 | ![]()
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 24719.916 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() #2: Chemical | #3: Chemical | ChemComp-PG0 / | #4: Water | ChemComp-HOH / | |
---|
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 3.2 Å3/Da / Density % sol: 61.53 % |
---|---|
Crystal grow | Temperature: 293 K / pH: 6.5 Details: 200mM AMS, 100 mM MES, 30% w/v PEG-MME 5000, squared bipyramids appeared within 7 to 10 days, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MAR CCD 165 mm / Detector: CCD / Date: Oct 25, 2002 / Details: THREE-SEGMENT PT-COATED TOROIDAL MIRRORS |
Radiation | Monochromator: DOUBLE CRYSTAL (SI111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.278 Å / Relative weight: 1 |
Reflection | Resolution: 2.09→29.05 Å / Num. obs: 36106 / % possible obs: 96.7 % / Observed criterion σ(I): -3 / Redundancy: 5.4 % / Biso Wilson estimate: 32.6 Å2 / Rmerge(I) obs: 0.07 / Rsym value: 0.06 / Net I/σ(I): 6.4 |
Reflection shell | Resolution: 2.09→2.1 Å / Redundancy: 5.1 % / Rmerge(I) obs: 0.43 / Mean I/σ(I) obs: 2 / Rsym value: 0.39 / % possible all: 90.5 |
-
Processing
Software |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 1AUO, CHAIN A Resolution: 2.09→29.05 Å / Rfactor Rfree error: 0.004 / Data cutoff high absF: 1173999.84 / Data cutoff low absF: 0 / Isotropic thermal model: OVERALL ANISOTROPIC / Cross valid method: THROUGHOUT / σ(F): 0 / Stereochemistry target values: ENGH & HUBER
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Solvent model: FLAT MODEL / Bsol: 76.92 Å2 / ksol: 0.4 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 32.7 Å2
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine analyze |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.09→29.05 Å
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell | Resolution: 2.09→2.22 Å / Rfactor Rfree error: 0.013 / Total num. of bins used: 6
|