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- PDB-5a5v: A complex of the synthetic siderophore analogue Fe(III)-6-LICAM w... -
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Open data
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Basic information
Entry | Database: PDB / ID: 5a5v | ||||||
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Title | A complex of the synthetic siderophore analogue Fe(III)-6-LICAM with the CeuE periplasmic protein from Campylobacter jejuni | ||||||
![]() | ENTEROCHELIN UPTAKE PERIPLASMIC BINDING PROTEIN | ||||||
![]() | TRANSPORT PROTEIN / SYNTHETIC SIDEROPHORE / LIGAND COMPLEX / PERIPLASMIC BINDING PROTEIN / TETRADENTATE SIDEROPHORES | ||||||
Function / homology | ![]() iron ion transport / outer membrane-bounded periplasmic space / metal ion binding Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Blagova, E. / Hughes, A. / Moroz, O.V. / Raines, D.J. / Wilde, E.J. / Turkenburg, J.P. / Duhme-Klair, A.-K. / Wilson, K.S. | ||||||
![]() | ![]() 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: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 71.4 KB | Display | ![]() |
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PDB format | ![]() | 51.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 815.7 KB | Display | ![]() |
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Full document | ![]() | 817 KB | Display | |
Data in XML | ![]() | 12.9 KB | Display | |
Data in CIF | ![]() | 17.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5a5dC ![]() 5ad1C ![]() 5lwhC ![]() 5lwqC ![]() 5mbqC ![]() 5mbtC ![]() 5mbuC ![]() 5tcyC ![]() 5a1jS 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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Unit cell |
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Components
#1: Protein | Mass: 31927.822 Da / Num. of mol.: 1 / Fragment: RESIDUES 44-330 Source method: isolated from a genetically manipulated source Details: N TERMINAL TRUNCATION / Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-FE / |
#3: Chemical | ChemComp-PXJ / |
#4: Water | ChemComp-HOH / |
Sequence details | N-TERMINAL TRUNCATION |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.19 Å3/Da / Density % sol: 43.83 % / Description: NONE |
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Crystal grow | pH: 6 / Details: 0.1 M PCB BUFFER, PH 7, 25% PEG 1500 |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS 6M / Detector: PIXEL / Date: Feb 14, 2015 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.979 Å / Relative weight: 1 |
Reflection | Resolution: 2.04→44.96 Å / Num. obs: 18467 / % possible obs: 100 % / Observed criterion σ(I): 1.5 / Redundancy: 7.9 % / Rmerge(I) obs: 0.26 / Net I/σ(I): 9.6 |
Reflection shell | Resolution: 2.04→2.09 Å / Redundancy: 8.2 % / Rmerge(I) obs: 1.24 / Mean I/σ(I) obs: 1.7 / % possible all: 100 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: PDB ENTRY 5A1J Resolution: 2.04→44.97 Å / Cor.coef. Fo:Fc: 0.936 / Cor.coef. Fo:Fc free: 0.905 / SU B: 6.431 / SU ML: 0.172 / Cross valid method: THROUGHOUT / ESU R: 0.238 / ESU R Free: 0.202 / Stereochemistry target values: MAXIMUM LIKELIHOOD Details: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. U VALUES REFINED INDIVIDUALLY
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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 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 23.378 Å2
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Refinement step | Cycle: LAST / Resolution: 2.04→44.97 Å
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Refine LS restraints |
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