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Yorodumi- PDB-5mbq: CeuE (H227A variant) a periplasmic protein from Campylobacter jejuni -
+Open data
-Basic information
Entry | Database: PDB / ID: 5mbq | ||||||
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Title | CeuE (H227A variant) a periplasmic protein from Campylobacter jejuni | ||||||
Components | Enterochelin uptake periplasmic binding protein | ||||||
Keywords | METAL TRANSPORT / Periplasmic / Iron-Uptake / Tetradentate / Siderophore / mutation | ||||||
Function / homology | Function and homology information | ||||||
Biological species | Campylobacter jejuni (Campylobacter) | ||||||
Method | X-RAY DIFFRACTION / SYNCHROTRON / MOLECULAR REPLACEMENT / Resolution: 1.33 Å | ||||||
Authors | Wilde, E.J. / Blagova, E.V. / Hughes, A. / Raines, D.J. / Moroz, O.V. / Turkenburg, J.P. / Duhme-Klair, A.-K. / Wilson, K.S. | ||||||
Funding support | United Kingdom, 1items
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Citation | Journal: Sci Rep / Year: 2017 Title: Interactions of the periplasmic binding protein CeuE with Fe(III) n-LICAM(4-) siderophore analogues of varied linker length. Authors: Wilde, E.J. / Hughes, A. / Blagova, E.V. / Moroz, O.V. / Thomas, R.P. / Turkenburg, J.P. / Raines, D.J. / Duhme-Klair, A.K. / Wilson, K.S. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 5mbq.cif.gz | 356.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb5mbq.ent.gz | 291.1 KB | Display | PDB format |
PDBx/mmJSON format | 5mbq.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/mb/5mbq ftp://data.pdbj.org/pub/pdb/validation_reports/mb/5mbq | HTTPS FTP |
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-Related structure data
Related structure data | 5a5dC 5a5vC 5ad1C 5lwhC 5lwqC 5mbtC 5mbuC 5tcyC 3zkwS 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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2 |
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3 |
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Unit cell |
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-Components
#1: Protein | Mass: 32014.920 Da / Num. of mol.: 3 / Mutation: H227A Source method: isolated from a genetically manipulated source Source: (gene. exp.) Campylobacter jejuni (Campylobacter) / Gene: ceuE, Cj1355 / Production host: Escherichia coli BL21(DE3) (bacteria) / References: UniProt: Q0P8Q4 #2: Water | ChemComp-HOH / | |
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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: 2.39 Å3/Da / Density % sol: 48.43 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, sitting drop / pH: 9 / Details: 0.1M MMT buffer, 25% Peg 1500. |
-Data collection
Diffraction | Mean temperature: 110 K |
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Diffraction source | Source: SYNCHROTRON / Site: Diamond / Beamline: I03 / Wavelength: 0.98 Å |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Apr 30, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98 Å / Relative weight: 1 |
Reflection | Resolution: 1.33→66.02 Å / Num. obs: 192548 / % possible obs: 65.9 % / Redundancy: 3.3 % / CC1/2: 0.998 / Rmerge(I) obs: 0.0044 / Net I/σ(I): 11.8 |
Reflection shell | Resolution: 1.33→1.35 Å / Redundancy: 3 % / Rmerge(I) obs: 0.729 / Mean I/σ(I) obs: 1.4 / CC1/2: 0.604 / % possible all: 41 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT Starting model: 3ZKW Resolution: 1.33→66.02 Å / Cor.coef. Fo:Fc: 0.977 / Cor.coef. Fo:Fc free: 0.967 / SU B: 2.954 / SU ML: 0.052 / Cross valid method: THROUGHOUT / ESU R: 0.054 / ESU R Free: 0.056 / 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: 24.583 Å2
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Refinement step | Cycle: 1 / Resolution: 1.33→66.02 Å
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Refine LS restraints |
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