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Open data
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Basic information
Entry | Database: PDB / ID: 7kcn | ||||||
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Title | Reconstructed ancestor of HIUases and Transthyretins | ||||||
![]() | HIUase-TTR ancestor | ||||||
![]() | UNKNOWN FUNCTION / probably a 5-hydroxyisourate hydrolase | ||||||
Function / homology | PHOSPHATE ION![]() | ||||||
Biological species | synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Nagem, R.A.P. / Bleicher, L. / Costa, M.A.F. | ||||||
Funding support | ![]()
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![]() | ![]() Title: Reenacting the Birth of a Function: Functional Divergence of HIUases and Transthyretins as Inferred by Evolutionary and Biophysical Studies. Authors: Carrijo de Oliveira, L. / Figueiredo Costa, M.A. / Goncalves Pedersolli, N. / Heleno Batista, F.A. / Migliorini Figueira, A.C. / Salgado Ferreira, R. / Alves Pinto Nagem, R. / Alves Nahum, L. / Bleicher, L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 122.2 KB | Display | ![]() |
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PDB format | ![]() | 91.5 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
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Links
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Assembly
Deposited unit | ![]()
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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 13668.314 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: This protein sequence was designed (reconstructed) to represent an HIUase-TTR ancestor before gene duplication Source: (gene. exp.) synthetic construct (others) / Production host: ![]() ![]() #2: Chemical | ChemComp-EDO / #3: Chemical | ChemComp-PO4 / | #4: Water | ChemComp-HOH / | Has ligand of interest | N | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.44 Å3/Da / Density % sol: 49.51 % |
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Crystal grow | Temperature: 291.15 K / Method: vapor diffusion, hanging drop / Details: 20-24% (w/v) PEG 1,500, 20-30% (v/v) glycerol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 2M / Detector: PIXEL / Date: Oct 19, 2018 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.459 Å / Relative weight: 1 |
Reflection | Resolution: 1.46→44.05 Å / Num. obs: 45814 / % possible obs: 97.1 % / Redundancy: 11.5 % / Biso Wilson estimate: 18.72 Å2 / CC1/2: 0.999 / Rrim(I) all: 0.063 / Net I/σ(I): 24.7 |
Reflection shell | Resolution: 1.46→1.55 Å / Redundancy: 5.3 % / Mean I/σ(I) obs: 3.8 / Num. unique obs: 11794 / CC1/2: 0.933 / Rrim(I) all: 0.353 / % possible all: 82.8 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 25.13 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.46→30.1 Å
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Refine LS restraints |
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LS refinement shell |
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