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Yorodumi- PDB-3nx1: Crystal structure of Enterobacter sp. Px6-4 Ferulic Acid Decarboxylase -
+Open data
-Basic information
Entry | Database: PDB / ID: 3nx1 | ||||||
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Title | Crystal structure of Enterobacter sp. Px6-4 Ferulic Acid Decarboxylase | ||||||
Components | Ferulic acid decarboxylase | ||||||
Keywords | LYASE / Ferulic acid / decarboxylase / 4-vinylguaiacol / catalytic mechanism / phenolic acid decarboxylase superfamily | ||||||
Function / homology | Phenolic acid decarboxylase / Phenolic acid decarboxylase (PAD) / carboxy-lyase activity / Calycin beta-barrel core domain / Calycin / Lipocalin / Beta Barrel / Mainly Beta / Ferulic acid decarboxylase Function and homology information | ||||||
Biological species | Enterobacter sp. Px6-4 (bacteria) | ||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.4 Å | ||||||
Authors | Gu, W. / Yang, J.K. / Lou, Z.Y. / Meng, Z.H. / Zhang, K.-Q. | ||||||
Citation | Journal: Plos One / Year: 2011 Title: Structural Basis of Enzymatic Activity for the Ferulic Acid Decarboxylase (FADase) from Enterobacter sp. Px6-4 Authors: Gu, W. / Yang, J.K. / Lou, Z.Y. / Liang, L.M. / Sun, Y. / Huang, J.W. / Li, X.M. / Cao, Y. / Meng, Z.H. / Zhang, K.-Q. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3nx1.cif.gz | 79.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3nx1.ent.gz | 60 KB | Display | PDB format |
PDBx/mmJSON format | 3nx1.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 3nx1_validation.pdf.gz | 439.5 KB | Display | wwPDB validaton report |
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Full document | 3nx1_full_validation.pdf.gz | 452.7 KB | Display | |
Data in XML | 3nx1_validation.xml.gz | 16.5 KB | Display | |
Data in CIF | 3nx1_validation.cif.gz | 22.4 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/nx/3nx1 ftp://data.pdbj.org/pub/pdb/validation_reports/nx/3nx1 | HTTPS FTP |
-Related structure data
Related structure data | 3nx2C 2gc9S C: citing same article (ref.) S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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2 |
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3 |
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Unit cell |
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-Components
#1: Protein | Mass: 19167.375 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Enterobacter sp. Px6-4 (bacteria) / Plasmid: pET-28a / Production host: Escherichia coli (E. coli) / Strain (production host): BL21(DE3) References: UniProt: C6F3U5, Lyases; Carbon-carbon lyases; Carboxy-lyases #2: Water | ChemComp-HOH / | Sequence details | THERE ARE SEVERAL DISCREPANCIES BETWEEN THE DEPOSITED SEQUENCE AND UNIPROT DATABASE. THE DEPOSITOR ...THERE ARE SEVERAL DISCREPANC | |
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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: 2.31 Å3/Da / Density % sol: 46.76 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 7.5 Details: 0.1M HEPES pH 7.5, 20%(w/v) PEG 10000, VAPOR DIFFUSION, HANGING DROP, temperature 291K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: RIGAKU MICROMAX-007 / Wavelength: 1 Å |
Detector | Type: MAR scanner 345 mm plate / Detector: IMAGE PLATE / Date: Dec 21, 2008 |
Radiation | Monochromator: osmic mirror / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.4→50 Å / Num. all: 12722 / Num. obs: 12090 / % possible obs: 99 % / Observed criterion σ(F): 0 / Observed criterion σ(I): 0 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB ENTRY 2GC9 Resolution: 2.4→36.87 Å / Cor.coef. Fo:Fc: 0.959 / Cor.coef. Fo:Fc free: 0.901 / SU B: 18.595 / SU ML: 0.214 / Cross valid method: THROUGHOUT / ESU R: 0.624 / ESU R Free: 0.311 / Stereochemistry target values: MAXIMUM LIKELIHOOD / Details: HYDROGENS HAVE BEEN ADDED IN THE 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 27.106 Å2
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Refinement step | Cycle: LAST / Resolution: 2.4→36.87 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.403→2.465 Å / Total num. of bins used: 20
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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