+
Open data
-
Basic information
Entry | Database: PDB / ID: 4pwc | ||||||
---|---|---|---|---|---|---|---|
Title | Phl p 4 I153V N158H variant, a glucose oxidase, 3.5 M NaBr soak | ||||||
![]() | Pollen allergen Phl p 4.0202 | ||||||
![]() | OXIDOREDUCTASE / FLAVOPROTEIN / BI-COVALENT FLAVINYLATION / ALLERGEN / GLUCOSE OXIDASE / HIGH OXYGEN REACTIVITY / GRASS POLLEN | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zafred, D. / Keller, W. / Macheroux, P. | ||||||
![]() | ![]() Title: Rationally engineered flavin-dependent oxidase reveals steric control of dioxygen reduction. Authors: Zafred, D. / Steiner, B. / Teufelberger, A.R. / Hromic, A. / Karplus, P.A. / Schofield, C.J. / Wallner, S. / Macheroux, P. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 121.1 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 91.4 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 809.4 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 815.7 KB | Display | |
Data in XML | ![]() | 22.3 KB | Display | |
Data in CIF | ![]() | 32 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 4pveC ![]() 4pvhC ![]() 4pvjC ![]() 4pvkC ![]() 4pwbC ![]() 4pzfC ![]() 3tshS C: citing same article ( S: Starting model for refinement |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 55740.723 Da / Num. of mol.: 1 / Fragment: Phl p 4.0202 / Mutation: I153V, N158H, N61Q, N330Q Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() | ||||
---|---|---|---|---|---|
#2: Chemical | ChemComp-FAD / | ||||
#3: Chemical | #4: Chemical | ChemComp-BR / #5: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 3.58 Å3/Da / Density % sol: 65.69 % |
---|---|
Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 7 Details: 7 mg/mL Protein in 20mM Tris + 70% Tacsimate. Crystals were soaked in 55% Tacsimate 20% Glycerol 3.5 M NaBr before freezing, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
-Data collection
Diffraction source | Source: ![]() ![]() ![]() |
---|---|
Detector | Type: PSI PILATUS 6M / Detector: PIXEL / Date: Feb 14, 2014 |
Radiation | Monochromator: double crystal monochromator / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.915345 Å / Relative weight: 1 |
Reflection | Resolution: 2.3→50 Å / Num. all: 68974 / Num. obs: 68911 / % possible obs: 99.9 % / Observed criterion σ(F): 3 / Observed criterion σ(I): 3 / Redundancy: 21.2 % / Net I/σ(I): 1.47 |
Reflection shell | Resolution: 2.3→2.4 Å / Mean I/σ(I) obs: 1.47 / Num. unique all: 8233 / % possible all: 99.9 |
-
Processing
Software |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: pdb entry 3TSH Resolution: 2.3→29.305 Å / SU ML: 0.29 / σ(F): 1.9 / Phase error: 24.66 / Stereochemistry target values: ML
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.3→29.305 Å
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refine LS restraints |
| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LS refinement shell |
|