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- PDB-6bzt: Crystal structure of halogenase PltM L111Y mutant in complex with FAD -
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Open data
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Basic information
Entry | Database: PDB / ID: 6bzt | ||||||
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Title | Crystal structure of halogenase PltM L111Y mutant in complex with FAD | ||||||
![]() | Halogenase PltM | ||||||
![]() | FLAVOPROTEIN / Halogenase / Chlorinase / Brominase / Iodinase | ||||||
Function / homology | ![]() alkylhalidase / monooxygenase activity / hydrolase activity / nucleotide binding / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Pang, A.H. / Garneau-Tsodikova, S. / Tsodikov, O.V. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Unusual substrate and halide versatility of phenolic halogenase PltM. Authors: Mori, S. / Pang, A.H. / Thamban Chandrika, N. / Garneau-Tsodikova, S. / Tsodikov, O.V. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 422.9 KB | Display | ![]() |
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PDB format | ![]() | 340 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 1.5 MB | Display | ![]() |
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Full document | ![]() | 1.5 MB | Display | |
Data in XML | ![]() | 77.7 KB | Display | |
Data in CIF | ![]() | 109.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 6bzaC ![]() 6bziC ![]() 6bznSC ![]() 6bzqC ![]() 6bzzC S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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2 | ![]()
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3 | ![]()
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4 | ![]()
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Unit cell |
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Components
-Protein , 1 types, 4 molecules ABCD
#1: Protein | Mass: 58399.129 Da / Num. of mol.: 4 Source method: isolated from a genetically manipulated source Details: The N-terminal sequence is a cloning tag Source: (gene. exp.) ![]() Strain: ATCC BAA-477 / NRRL B-23932 / Pf-5 / Gene: pltM, PFL_2784 / Production host: ![]() ![]() |
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-Non-polymers , 5 types, 963 molecules ![](data/chem/img/FAD.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/BR.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/HOH.gif)
![](data/chem/img/CL.gif)
![](data/chem/img/BR.gif)
![](data/chem/img/CA.gif)
![](data/chem/img/HOH.gif)
#2: Chemical | ChemComp-FAD / #3: Chemical | ChemComp-CL / #4: Chemical | ChemComp-BR / #5: Chemical | #6: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.3 Å3/Da / Density % sol: 46.45 % |
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Crystal grow | Temperature: 294 K / Method: vapor diffusion, hanging drop / pH: 8 Details: 0.1 M Tris pH 8, 0.2 M NaBr, 0.1 M CaCl2 and 14% PEG 8000, cryoprotection in same except for additional 20% PEG 400 and 1 mM FAD overnight |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: RAYONIX MX300-HS / Detector: CCD / Date: Jun 16, 2017 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.1→50 Å / Num. obs: 119974 / % possible obs: 94.7 % / Observed criterion σ(I): 1.9 / Redundancy: 5.4 % / Rmerge(I) obs: 0.197 / Net I/σ(I): 10.7 |
Reflection shell | Resolution: 2.1→2.14 Å / Redundancy: 4.3 % / Num. unique obs: 5827 / CC1/2: 0.568 / % possible all: 92.6 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 6BZN Resolution: 2.1→35 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.915 / SU B: 6.118 / SU ML: 0.159 / Cross valid method: THROUGHOUT / ESU R: 0.276 / ESU R Free: 0.206 / 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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 24.901 Å2
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Refinement step | Cycle: 1 / Resolution: 2.1→35 Å
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Refine LS restraints |
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