+Open data
-Basic information
Entry | Database: PDB / ID: 6xix | |||||||||
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Title | Triuret Hydrolase (TrtA) from Herbaspirillum sp. BH-1 | |||||||||
Components | Cysteine hydrolase | |||||||||
Keywords | HYDROLASE / TrtA / triuret / biuret / cysteine hydrolase / nitrogen | |||||||||
Function / homology | Function and homology information amide catabolic process / hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides / Hydrolases; Acting on carbon-nitrogen bonds, other than peptide bonds; In linear amides / protein homodimerization activity / identical protein binding Similarity search - Function | |||||||||
Biological species | Herbaspirillum sp. BH-1 (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.1 Å | |||||||||
Authors | Tassoulas, L.T. / Elias, M.H. / Wackett, L.P. | |||||||||
Funding support | United States, 2items
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Citation | Journal: J.Biol.Chem. / Year: 2020 Title: Discovery of an ultraspecific triuret hydrolase (TrtA) establishes the triuret biodegradation pathway. Authors: Tassoulas, L.J. / Elias, M.H. / Wackett, L.P. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6xix.cif.gz | 359.7 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6xix.ent.gz | 284.3 KB | Display | PDB format |
PDBx/mmJSON format | 6xix.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 6xix_validation.pdf.gz | 483.7 KB | Display | wwPDB validaton report |
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Full document | 6xix_full_validation.pdf.gz | 494.6 KB | Display | |
Data in XML | 6xix_validation.xml.gz | 66.4 KB | Display | |
Data in CIF | 6xix_validation.cif.gz | 94.5 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xi/6xix ftp://data.pdbj.org/pub/pdb/validation_reports/xi/6xix | HTTPS FTP |
-Related structure data
Related structure data | 6xj4C 6xjeC 6xjmC 6xk1C 6azoS 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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Unit cell |
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-Components
#1: Protein | Mass: 24212.729 Da / Num. of mol.: 8 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Herbaspirillum sp. BH-1 (bacteria) / Gene: HBH1_00246 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: A0A2N6JFX7 #2: Chemical | ChemComp-BME / #3: Water | ChemComp-HOH / | Has ligand of interest | N | |
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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: 2.3 Å3/Da / Density % sol: 46.43 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 1 uL 20 mg/mL protein + 1 uL 24% PEG6000, 0.1 M Bis-Tris propane |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: SYNCHROTRON / Site: APS / Beamline: 24-ID-E / Wavelength: 0.979 Å |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Oct 22, 2018 |
Radiation | Monochromator: Cryogenically-cooled single crystal Si(220) side bounce Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→81.57 Å / Num. obs: 91216 / % possible obs: 90.4 % / Redundancy: 2.13 % / Rmerge(I) obs: 0.068 / Net I/σ(I): 9.16 |
Reflection shell | Resolution: 2.1→2.2 Å / Redundancy: 2.16 % / Rmerge(I) obs: 0.176 / Mean I/σ(I) obs: 4.76 / Num. unique obs: 12132 / % possible all: 92.2 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: PDB entry 6AZO Resolution: 2.1→70.57 Å / Cor.coef. Fo:Fc: 0.948 / Cor.coef. Fo:Fc free: 0.918 / WRfactor Rfree: 0.238 / WRfactor Rwork: 0.188 / SU B: 4.894 / SU ML: 0.131 / Average fsc free: 0.9207 / Average fsc work: 0.9365 / Cross valid method: THROUGHOUT / ESU R: 0.274 / ESU R Free: 0.204 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: 20.286 Å2
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Refinement step | Cycle: LAST / Resolution: 2.1→70.57 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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