+Open data
-Basic information
Entry | Database: PDB / ID: 5xls | |||||||||
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Title | Crystal structure of UraA in occluded conformation | |||||||||
Components | Uracil permease | |||||||||
Keywords | TRANSPORT PROTEIN / Occluded conformation / dimer | |||||||||
Function / homology | Function and homology information uracil transmembrane transporter activity / membrane => GO:0016020 / plasma membrane Similarity search - Function | |||||||||
Biological species | Escherichia coli O157:H7 (bacteria) | |||||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 2.5 Å | |||||||||
Authors | Yu, X.Z. / Yang, G.H. / Yan, C.Y. / Yan, N. | |||||||||
Funding support | China, 2items
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Citation | Journal: Cell Res. / Year: 2017 Title: Dimeric structure of the uracil:proton symporter UraA provides mechanistic insights into the SLC4/23/26 transporters Authors: Yu, X. / Yang, G. / Yan, C. / Baylon, J.L. / Jiang, J. / Fan, H. / Lu, G. / Hasegawa, K. / Okumura, H. / Wang, T. / Tajkhorshid, E. / Li, S. / Yan, N. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5xls.cif.gz | 172.8 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5xls.ent.gz | 137.2 KB | Display | PDB format |
PDBx/mmJSON format | 5xls.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/xl/5xls ftp://data.pdbj.org/pub/pdb/validation_reports/xl/5xls | HTTPS FTP |
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-Related structure data
Related structure data | 3qe7S S: Starting model for refinement |
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Similar structure data |
-Links
-Assembly
Deposited unit |
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1 |
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Unit cell |
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-Components
#1: Protein | Mass: 45946.723 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) Escherichia coli O157:H7 (bacteria) / Gene: uraA, Z3760, ECs3359 / Production host: Escherichia coli (E. coli) / References: UniProt: P0AGM8 | ||
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#2: Chemical | ChemComp-URA / | ||
#3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 3.93 Å3/Da / Density % sol: 68.69 % |
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Crystal grow | Temperature: 291 K / Method: vapor diffusion, hanging drop / pH: 6.5 Details: 24% PEG 400, 100mM MES-NaOH, pH 6.5, 100mM NaF, 50mM MgCl2, 3mM (NH4)2WS4 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: SYNCHROTRON / Site: SPring-8 / Beamline: BL41XU / Wavelength: 1 Å |
Detector | Type: RAYONIX MX225HE / Detector: CCD / Date: Oct 5, 2012 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→40 Å / Num. obs: 49846 / % possible obs: 98 % / Redundancy: 3.3 % / Rsym value: 0.117 / Net I/σ(I): 18.5 |
Reflection shell | Resolution: 2.5→2.59 Å / Redundancy: 3.3 % / Rmerge(I) obs: 0.558 / Mean I/σ(I) obs: 2.8 / % possible all: 98.5 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3QE7 Resolution: 2.5→32.79 Å / Cross valid method: FREE R-VALUE / σ(F): 0.88 Details: THE STRUCTURE FACTOR FILE CONTAINS FRIEDEL PAIRS IN F_PLUS/MINUS AND I_PLUS/MINUS COLUMNS
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Solvent computation | Shrinkage radii: 0.47 Å / VDW probe radii: 0.8 Å / Bsol: 42.511 Å2 / ksol: 0.313 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.5→32.79 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Origin x: 19.2014 Å / Origin y: 15.5427 Å / Origin z: -12.0268 Å
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Refinement TLS group | Selection details: all |