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Yorodumi- PDB-4d96: D-Cysteine desulfhydrase from Salmonella typhimurium complexed wi... -
+Open data
-Basic information
Entry | Database: PDB / ID: 4d96 | ||||||
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Title | D-Cysteine desulfhydrase from Salmonella typhimurium complexed with 1-amino-1-carboxycyclopropane (ACC) | ||||||
Components | D-cysteine desulfhydrase | ||||||
Keywords | LYASE / Fold type II PLP-dependent enzyme / tryptophan synthase beta subunit like family / PLP dependent enzyme | ||||||
Function / homology | Function and homology information D-cysteine desulfhydrase / D-amino acid metabolic process / D-cysteine desulfhydrase activity Similarity search - Function | ||||||
Biological species | Salmonella typhimurium (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.09 Å | ||||||
Authors | Bharath, S.R. / Shveta, B. / Rajesh, K.H. / Savithri, H.S. / Murthy, M.R.N. | ||||||
Citation | Journal: Plos One / Year: 2012 Title: Structural and Mutational Studies on Substrate Specificity and Catalysis of Salmonella typhimurium D-Cysteine Desulfhydrase. Authors: Bharath, S.R. / Bisht, S. / Harijan, R.K. / Savithri, H.S. / Murthy, M.R.N. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 4d96.cif.gz | 263 KB | Display | PDBx/mmCIF format |
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PDB format | pdb4d96.ent.gz | 211.7 KB | Display | PDB format |
PDBx/mmJSON format | 4d96.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 4d96_validation.pdf.gz | 1.7 MB | Display | wwPDB validaton report |
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Full document | 4d96_full_validation.pdf.gz | 1.8 MB | Display | |
Data in XML | 4d96_validation.xml.gz | 54.1 KB | Display | |
Data in CIF | 4d96_validation.cif.gz | 76.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/d9/4d96 ftp://data.pdbj.org/pub/pdb/validation_reports/d9/4d96 | HTTPS FTP |
-Related structure data
Related structure data | 4d8tSC 4d8uC 4d8wC 4d92C 4d97C 4d99C 4d9bC 4d9cC 4d9eC 4d9fC S: Starting model for refinement C: citing same article (ref.) |
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Similar structure data |
-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: 36550.727 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Salmonella typhimurium (bacteria) / Gene: dcyD, STM1953 / Plasmid: pRSET C / Production host: Escherichia coli (E. coli) / Strain (production host): BL21 (DE3)Rosetta / References: UniProt: Q8ZNT7, D-cysteine desulfhydrase #2: Chemical | ChemComp-5PA / #3: Chemical | #4: Chemical | #5: Water | ChemComp-HOH / | |
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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: 2.27 Å3/Da / Density % sol: 45.8 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.6 Details: 1.5M Ammonium sulphate, 15% (v/v) ethylene glycol, 0.1M HEPES, 0.2% Benzamidine, 10mM Amino carboxy cyclopropane (ACC), pH 8.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 HF / Wavelength: 1.5418 Å |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Jan 27, 2010 / Details: mirrors |
Radiation | Monochromator: Ni mirror / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.07→55.12 Å / Num. obs: 70270 / % possible obs: 88.6 % / Redundancy: 3.6 % / Biso Wilson estimate: 22.94 Å2 / Rmerge(I) obs: 0.077 / Net I/σ(I): 11.4 |
Reflection shell | Resolution: 2.07→2.18 Å / Redundancy: 3.5 % / Rmerge(I) obs: 0.219 / Mean I/σ(I) obs: 4.8 / Num. unique all: 9020 / % possible all: 78.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 4D8T Resolution: 2.09→48.7 Å / Cor.coef. Fo:Fc: 0.915 / Cor.coef. Fo:Fc free: 0.876 / SU B: 6.127 / SU ML: 0.164 / Cross valid method: THROUGHOUT / ESU R: 0.305 / ESU R Free: 0.229 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT
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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: BABINET MODEL WITH MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.689 Å2
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Refinement step | Cycle: LAST / Resolution: 2.09→48.7 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.09→2.144 Å / Total num. of bins used: 20
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