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- PDB-1bqx: ARTIFICIAL FE8S8 FERREDOXIN: THE D13C VARIANT OF BACILLUS SCHLEGE... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1bqx | |||||||||
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Title | ARTIFICIAL FE8S8 FERREDOXIN: THE D13C VARIANT OF BACILLUS SCHLEGELII FE7S8 FERREDOXIN | |||||||||
![]() | PROTEIN (FERREDOXIN) | |||||||||
![]() | ELECTRON TRANSPORT / IRON-SULFUR PROTEIN | |||||||||
Function / homology | ![]() 3 iron, 4 sulfur cluster binding / 4 iron, 4 sulfur cluster binding / electron transfer activity / metal ion binding Similarity search - Function | |||||||||
Biological species | ![]() | |||||||||
Method | SOLUTION NMR / TORSION ANGLE DYNAMICS, RESTRAINED ENERGY MINIMIZATION, RESTRAINED MOLECULAR DYNAMICS | |||||||||
![]() | Aono, S. / Bentrop, D. / Bertini, I. / Cosenza, G. / Luchinat, C. | |||||||||
![]() | ![]() Title: Solution structure of an artificial Fe8S8 ferredoxin: the D13C variant of Bacillus schlegelii Fe7S8 ferredoxin. Authors: Aono, S. / Bentrop, D. / Bertini, I. / Cosenza, G. / Luchinat, C. #1: ![]() Title: The D13C Variant of Bacillus Schlegelii 7Fe Ferredoxin is an 8Fe Ferredoxin as Revealed by 1H-NMR Spectroscopy Authors: Aono, S. / Bentrop, D. / Bertini, I. / Luchinat, C. / Macinai, R. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 35.6 KB | Display | ![]() |
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PDB format | ![]() | 23.7 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-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: 8738.883 Da / Num. of mol.: 1 / Mutation: D13C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() |
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#2: Chemical |
-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||
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NMR experiment |
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NMR details | Text: MINIMIZED AVERAGE STRUCTURE. THE STRUCTURE WAS DETERMINED USING 1H NMR SPECTROSCOPY. EXPERIMENTAL DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. |
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Sample preparation
Sample conditions | Ionic strength: 20 mM / pH: 6.5 / Pressure: 1 atm / Temperature: 300 K |
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Crystal grow | *PLUS Method: other / Details: NMR |
-NMR measurement
NMR spectrometer |
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Processing
NMR software |
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Refinement | Method: TORSION ANGLE DYNAMICS, RESTRAINED ENERGY MINIMIZATION, RESTRAINED MOLECULAR DYNAMICS Software ordinal: 1 Details: THE STRUCTURE CALCULATIONS WERE CARRIED OUT WITH THE TORSION ANGLE DYNAMICS PROGRAM DYANA (BY GUENTERT,MUMENTHALER,WUETHRICH). THE 20 STRUCTURES OF THE DYANA FAMILY WITH THE LOWEST TARGET ...Details: THE STRUCTURE CALCULATIONS WERE CARRIED OUT WITH THE TORSION ANGLE DYNAMICS PROGRAM DYANA (BY GUENTERT,MUMENTHALER,WUETHRICH). THE 20 STRUCTURES OF THE DYANA FAMILY WITH THE LOWEST TARGET FUNCTION VALUES WERE REFINED BY RESTRAINED ENERGY MINIMIZATION(REM) AND RESTRAINED MOLECULAR DYNAMICS (RMD) IN VACUO. THE STRUCTURE IN THIS ENTRY REPRESENTS THE MINIMIZED AVERAGE STRUCTURE OF THE RMD FAMILY. REFINEMENT DETAILS CAN BE FOUND IN THE JRNL CITATION ABOVE. | ||||||||||||||||
NMR ensemble | Conformer selection criteria: LEAST RESTRAINT VIOLATIONS / Conformers calculated total number: 500 / Conformers submitted total number: 1 |