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Open data
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Basic information
Entry | Database: PDB / ID: 1de1 | ||||||
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Title | NMR STRUCTURES OF OXIDIZED BACTERIOPHAGE T4 GLUTAREDOXIN | ||||||
![]() | GLUTAREDOXIN | ||||||
![]() | ELECTRON TRANSPORT / GLUTAREDOXIN | ||||||
Function / homology | ![]() | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / SIMULATED ANNEALING, MOLECULAR DYNAMICS | ||||||
![]() | Wang, Y. / Amegbey, G. / Wishart, D.S. | ||||||
![]() | ![]() Title: Solution structures of reduced and oxidized bacteriophage T4 glutaredoxin. Authors: Wang, Y. / Amegbey, G. / Wishart, D.S. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 808.2 KB | Display | ![]() |
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PDB format | ![]() | 707.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 344.2 KB | Display | ![]() |
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Full document | ![]() | 553.5 KB | Display | |
Data in XML | ![]() | 48.9 KB | Display | |
Data in CIF | ![]() | 77.5 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: 10063.631 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Details: THIS SEQUENCE OCCURS NATURALLY IN BACTERIOPHAGE T4 / Source: (natural) ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR |
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NMR experiment | Type: 2D NOESY, TOCSY, DQF COSY |
NMR details | Text: THE STRUCTURES WERE DETERMINED USING STANDARD 2D HOMONUCLEAR TECHNIQUES |
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Sample preparation
Details | Contents: 2MM T4 GLUTAREDOXIN; 50MM PH7.0 PHOSPHATE BUFFER |
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Sample conditions | Ionic strength: 0 / pH: 7.0 / Pressure: AMBIENT / Temperature: 298 K |
Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer | Type: Varian UNITY / Manufacturer: Varian / Model: UNITY / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: SIMULATED ANNEALING, MOLECULAR DYNAMICS / Software ordinal: 1 Details: THE STRUCTURES ARE BASED ON 1050 DISTANCE, 188 DIHEDRAL ANGLE AND 201 H CHEMICAL SHIFT CONSTRAINTS. | ||||||||||||||||
NMR representative | Selection criteria: closest to the average | ||||||||||||||||
NMR ensemble | Conformer selection criteria: BACK CALCULATED DATA AGREE WITH EXPERIMENTAL NOESY SPECTRUM,STRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY,STRUCTURES WITH FAVORABLE NON-BOND ENERGY, STRUCTURES WITH THE ...Conformer selection criteria: BACK CALCULATED DATA AGREE WITH EXPERIMENTAL NOESY SPECTRUM,STRUCTURES WITH ACCEPTABLE COVALENT GEOMETRY,STRUCTURES WITH FAVORABLE NON-BOND ENERGY, STRUCTURES WITH THE LEAST RESTRAINT VIOLATIONS,STRUCTURES WITH THE LOWEST ENERGY,TARGET FUNCTION Conformers calculated total number: 50 / Conformers submitted total number: 30 |