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Yorodumi- PDB-9fdd: The crystal structure of full length tetramer CysB from Klebsiell... -
+Open data
-Basic information
Entry | Database: PDB / ID: 9fdd | ||||||
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Title | The crystal structure of full length tetramer CysB from Klebsiella aerogenes in complex with N-acetylserine | ||||||
Components | HTH-type transcriptional regulator CysB | ||||||
Keywords | TRANSCRIPTION / CysB / cysteine biosynthesis / LysR family / transcriptional regulator | ||||||
Function / homology | Function and homology information cysteine biosynthetic process / transcription cis-regulatory region binding / DNA-binding transcription factor activity / cytoplasm Similarity search - Function | ||||||
Biological species | Klebsiella (bacteria) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.8 Å | ||||||
Authors | Verschueren, K.H.G. / Dodson, E.J. / Wilkinson, A.J. | ||||||
Funding support | United Kingdom, 1items
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Citation | Journal: Eur.Biophys.J. / Year: 2024 Title: The Structure of the LysR-type Transcriptional Regulator, CysB, Bound to the Inducer, N-acetylserine. Authors: Verschueren, K.H.G. / Dodson, E.J. / Wilkinson, A.J. #1: Journal: Structure / Year: 1997 Title: The structure of the cofactor-binding fragment of the LysR family member, CysB: a familiar fold with a surprising subunit arrangement. Authors: Tyrrell, R. / Verschueren, K.H. / Dodson, E.J. / Murshudov, G.N. / Addy, C. / Wilkinson, A.J. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 9fdd.cif.gz | 973.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb9fdd.ent.gz | 805.3 KB | Display | PDB format |
PDBx/mmJSON format | 9fdd.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 9fdd_validation.pdf.gz | 2.5 MB | Display | wwPDB validaton report |
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Full document | 9fdd_full_validation.pdf.gz | 2.5 MB | Display | |
Data in XML | 9fdd_validation.xml.gz | 86.8 KB | Display | |
Data in CIF | 9fdd_validation.cif.gz | 116.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/fd/9fdd ftp://data.pdbj.org/pub/pdb/validation_reports/fd/9fdd | HTTPS FTP |
-Related structure data
Related structure data | 9f14C C: citing same article (ref.) |
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Similar structure data | Similarity search - Function & homologyF&H Search |
-Links
-Assembly
Deposited unit |
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1 |
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2 |
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Unit cell |
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-Components
#1: Protein | Mass: 36008.109 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Klebsiella (bacteria) / Gene: cysB / Production host: Escherichia coli (E. coli) / References: UniProt: P45600 #2: Chemical | ChemComp-SAC / #3: Water | ChemComp-HOH / | Has ligand of interest | Y | |
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-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 2.64 Å3/Da / Density % sol: 53.35 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 12-17% PEG 8000, 0.2 M sodium tartrate, 0.1 M Tris-HCl |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: SRS / Beamline: PX9.6 / Wavelength: 0.87 Å |
Detector | Type: ADSC QUANTUM 4 / Detector: CCD / Date: Nov 8, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.87 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→41.462 Å / Num. obs: 72415 / % possible obs: 99.4 % / Redundancy: 5.7 % / Biso Wilson estimate: 35.4 Å2 / Rmerge(I) obs: 0.089 / Net I/σ(I): 5.9 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.8→41.462 Å / Cor.coef. Fo:Fc: 0.943 / Cor.coef. Fo:Fc free: 0.897 / SU B: 15.672 / SU ML: 0.302 / Cross valid method: FREE R-VALUE / ESU R Free: 0.382 Details: Hydrogens have been added in their riding positions
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Solvent computation | Ion probe radii: 0.8 Å / Shrinkage radii: 0.8 Å / VDW probe radii: 1.2 Å / Solvent model: MASK BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 45.469 Å2
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Refinement step | Cycle: LAST / Resolution: 2.8→41.462 Å
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Refine LS restraints |
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LS refinement shell | Refine-ID: X-RAY DIFFRACTION / Total num. of bins used: 20
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