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- PDB-5g31: Crystallographic structure of mutant C73S of thioredoxin from Lit... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5g31 | ||||||
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Title | Crystallographic structure of mutant C73S of thioredoxin from Litopenaeus vannamei | ||||||
![]() | THIOREDOXIN | ||||||
![]() | OXIDOREDUCTASE / THIOREDOXIN / SHRIMP / LITOPENAEUS VANNAMEI / MUTANT / DISULFIDE BOND | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Campos-Acevedo, A.A. / Rudino-Pinera, E. | ||||||
![]() | ![]() Title: Is dimerization a common feature in thioredoxins? The case of thioredoxin from Litopenaeus vannamei. Authors: Campos-Acevedo, A.A. / Sotelo-Mundo, R.R. / Perez, J. / Rudino-Pinera, E. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 34.8 KB | Display | ![]() |
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PDB format | ![]() | 23.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 420.2 KB | Display | ![]() |
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Full document | ![]() | 421.7 KB | Display | |
Data in XML | ![]() | 6.9 KB | Display | |
Data in CIF | ![]() | 8.6 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5g2zC ![]() 5g30C ![]() 3zzxS C: citing same article ( S: Starting model for refinement |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 11942.645 Da / Num. of mol.: 1 / Mutation: YES Source method: isolated from a genetically manipulated source Details: RESIDUE 11 IS A SER IN THE UNIPROT DEPOSIT B1PWB9, IN THIS STRUCTURE A PHE IS CLEARLY VISIBLE ON POSITION 11. Source: (gene. exp.) ![]() Plasmid: PET22B / Production host: ![]() ![]() References: UniProt: B1PWB9, thioredoxin-disulfide reductase |
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#2: Chemical | ChemComp-ZN / |
#3: Water | ChemComp-HOH / |
Sequence details | A SERINE IS PRESENT IN RESIDUE 11 FROM UNIPROT DEPOSIT B1PWB9, IN OUR STRUCTURE RESIDUE 11 IS A PHENILALAN |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.36 Å3/Da / Density % sol: 47.89 % / Description: NONE |
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Crystal grow | pH: 8 Details: 20 % (W/V) POLYETHYLENE GLYCOL 3,000. 100 MM IMIDAZOLE PH 8.0. 200 MM ZINC ACETATE |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 315 / Detector: CCD / Date: Mar 17, 2014 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 2→44.86 Å / Num. obs: 8227 / % possible obs: 100 % / Observed criterion σ(I): 0 / Redundancy: 11.6 % / Biso Wilson estimate: 30.69 Å2 / Rmerge(I) obs: 0.05 / Net I/σ(I): 31.7 |
Reflection shell | Resolution: 2→2.05 Å / Redundancy: 11.9 % / Rmerge(I) obs: 0.34 / Mean I/σ(I) obs: 7.6 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 3ZZX Resolution: 2→44.862 Å / SU ML: 0.18 / σ(F): 1.35 / Phase error: 26.04 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 35.66 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2→44.862 Å
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Refine LS restraints |
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LS refinement shell |
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