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Open data
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Basic information
Entry | Database: PDB / ID: 2lku | ||||||
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Title | Solution structure of reduced poplar apo GrxS14 | ||||||
![]() | GrxS14 | ||||||
![]() | ELECTRON TRANSPORT / GrxS14 / glutaredoxin / glutathione | ||||||
Function / homology | ![]() iron-sulfur cluster binding / protein-disulfide reductase activity / electron transfer activity / mitochondrial matrix / mitochondrion / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Model details | lowest energy, model 1 | ||||||
![]() | Wang, L. / Xia, B. | ||||||
![]() | ![]() Title: Solution structure of reduced poplar apo GrxS14 Authors: Wang, L. / Xia, B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 664.3 KB | Display | ![]() |
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PDB format | ![]() | 564.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 404.5 KB | Display | ![]() |
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Full document | ![]() | 480.8 KB | Display | |
Data in XML | ![]() | 29.8 KB | Display | |
Data in CIF | ![]() | 53.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein | Mass: 12195.003 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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Sequence details | A SEQUENCE DATABASE REFERENCE FOR THIS PROTEIN DOES NOT CURRENTLY EXIST. |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR / Details: Solution structure of reduced poplar apo GrxS14 | ||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Contents: 0.2 mM [U-13C; U-15N] apo GrxS14 protein-1, 30 mM TRIS-2, 50 mM sodium chloride-3, 20 mM GSH-4, 95 % H2O-5, 5 % [U-2H] D2O-6, 95% H2O/5% D2O Solvent system: 95% H2O/5% D2O | ||||||||||||||||||||||||||||
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Sample |
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Sample conditions | Ionic strength: 80 / pH: 7.5 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer |
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Processing
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Refinement | Method: simulated annealing / Software ordinal: 1 / Details: using AMBER ff03 force filed refinement | ||||||||||||||||||||||||||||||||||||||||||||
NMR constraints | NOE constraints total: 2561 / NOE intraresidue total count: 918 / NOE long range total count: 211 / NOE medium range total count: 168 / NOE sequential total count: 407 | ||||||||||||||||||||||||||||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||||||||||||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 100 / Conformers submitted total number: 20 / Maximum lower distance constraint violation: 0.09 Å / Maximum upper distance constraint violation: 0.229 Å / Representative conformer: 1 |