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- PDB-8rk1: Crystal structure of FutA bound to Fe(III) solved by neutron diff... -
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Open data
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Basic information
Entry | Database: PDB / ID: 8rk1 | |||||||||
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Title | Crystal structure of FutA bound to Fe(III) solved by neutron diffraction | |||||||||
![]() | Putative iron ABC transporter, substrate binding protein | |||||||||
![]() | METAL BINDING PROTEIN / Periplasmic iron-binding protein / metal ion binding / iron homeostasis | |||||||||
Function / homology | Bacterial extracellular solute-binding protein / Ferric binding protein / iron ion transport / outer membrane-bounded periplasmic space / metal ion binding / : / Putative iron ABC transporter, substrate binding protein![]() | |||||||||
Biological species | ![]() | |||||||||
Method | NEUTRON DIFFRACTION / NUCLEAR REACTOR / ![]() | |||||||||
![]() | Bolton, R. / Tews, I. | |||||||||
Funding support | ![]()
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![]() | ![]() Title: A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron-binding protein FutA from Prochlorococcus. Authors: Bolton, R. / Machelett, M.M. / Stubbs, J. / Axford, D. / Caramello, N. / Catapano, L. / Maly, M. / Rodrigues, M.J. / Cordery, C. / Tizzard, G.J. / MacMillan, F. / Engilberge, S. / von ...Authors: Bolton, R. / Machelett, M.M. / Stubbs, J. / Axford, D. / Caramello, N. / Catapano, L. / Maly, M. / Rodrigues, M.J. / Cordery, C. / Tizzard, G.J. / MacMillan, F. / Engilberge, S. / von Stetten, D. / Tosha, T. / Sugimoto, H. / Worrall, J.A.R. / Webb, J.S. / Zubkov, M. / Coles, S. / Mathieu, E. / Steiner, R.A. / Murshudov, G. / Schrader, T.E. / Orville, A.M. / Royant, A. / Evans, G. / Hough, M.A. / Owen, R.L. / Tews, I. #1: ![]() Title: A redox switch allows binding of Fe(II) and Fe(III) ions in the cyanobacterial iron binding protein FutA from Prochlorococcus; Authors: Bolton, R. / Machelett, M. / Stubbs, J. / Axford, D. / Caramello, N. / Catapano, L. / Maly, M. / Rodrigues, M. / Cordery, C. / Tizzard, G. / MacMillan, F. / Engilberge, S. / Stetten, D. / ...Authors: Bolton, R. / Machelett, M. / Stubbs, J. / Axford, D. / Caramello, N. / Catapano, L. / Maly, M. / Rodrigues, M. / Cordery, C. / Tizzard, G. / MacMillan, F. / Engilberge, S. / Stetten, D. / Tosha, T. / Sugimoto, H. / Worrall, J. / Webb, J. / Zubkov, M. / Coles, S. / Mathieu, E. / Steiner, R. / Murshudov, G. / Schrader, T. / Orville, A. / Royant, A. / Evans, G. / Hough, M. / Owen, R. / Tews, I. | |||||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 151.2 KB | Display | ![]() |
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PDB format | ![]() | 117.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 335 KB | Display | ![]() |
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Full document | ![]() | 335.1 KB | Display | |
Data in XML | ![]() | 8.3 KB | Display | |
Data in CIF | ![]() | 14.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 8c4yC ![]() 8oeiC ![]() 8oemC ![]() 8oggC C: citing same article ( |
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Similar structure data | Similarity search - Function & homology ![]() |
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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: 35219.246 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() Gene: futA,sfuA, idiA, PMM1164 / Plasmid: pET- 24b(+) / Production host: ![]() ![]() |
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#2: Chemical | ChemComp-FE / |
#3: Water | ChemComp-HOH / |
Has ligand of interest | Y |
-Experimental details
-Experiment
Experiment | Method: NEUTRON DIFFRACTION / Number of used crystals: 1 |
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Sample preparation
Crystal | Density Matthews: 2.09 Å3/Da / Density % sol: 41.22 % |
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Crystal grow | Temperature: 294 K / Method: batch mode Details: Purified protein and crystallisation buffer were mixed at a 1:1 ratio. Crystallisation buffer was 20% PEG 3350, 200 mM sodium thiocyanate. |
-Data collection
Diffraction | Mean temperature: 294 K / Serial crystal experiment: N |
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Diffraction source | Source: NUCLEAR REACTOR / Site: FRM II ![]() |
Detector | Type: BIODIFF / Detector: IMAGE PLATE / Date: Feb 2, 2020 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: neutron |
Radiation wavelength | Wavelength: 3.1 Å / Relative weight: 1 |
Reflection | Resolution: 2.095→50 Å / Num. obs: 13758 / % possible obs: 80.8 % / Redundancy: 1.9 % / CC1/2: 0.971 / Rpim(I) all: 0.106 / Rrim(I) all: 0.168 / Net I/σ(I): 4.6 |
Reflection shell | Resolution: 2.095→2.18 Å / Num. unique obs: 886 / CC1/2: 0.716 / Rpim(I) all: 0.334 / Rrim(I) all: 0.473 / % possible all: 52.4 |
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Processing
Refinement | Method to determine structure: ![]() Details: Hydrogens have been used if present in the input file
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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 BULK SOLVENT | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 22.465 Å2
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Refine LS restraints |
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LS refinement shell | Refine-ID: NEUTRON DIFFRACTION / Total num. of bins used: 20
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