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- PDB-3es3: Directing Noble Metal Ion Chemistry within a Designed Ferritin Pr... -
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Open data
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Basic information
Entry | Database: PDB / ID: 3es3 | ||||||
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Title | Directing Noble Metal Ion Chemistry within a Designed Ferritin Protein. The Complex with Gold ions. Ferritin H8-H9x Mutant | ||||||
![]() | Ferritin heavy chain | ||||||
![]() | OXIDOREDUCTASE / Nanoparticle synthesis / gold ions / ferritin / mutant / Iron / Iron storage / Metal-binding / Phosphoprotein | ||||||
Function / homology | ![]() iron ion sequestering activity / : / autolysosome / Scavenging by Class A Receptors / Golgi Associated Vesicle Biogenesis / ferroxidase / intracellular sequestering of iron ion / ferroxidase activity / negative regulation of fibroblast proliferation / ferric iron binding ...iron ion sequestering activity / : / autolysosome / Scavenging by Class A Receptors / Golgi Associated Vesicle Biogenesis / ferroxidase / intracellular sequestering of iron ion / ferroxidase activity / negative regulation of fibroblast proliferation / ferric iron binding / Iron uptake and transport / ferrous iron binding / tertiary granule lumen / iron ion transport / intracellular iron ion homeostasis / ficolin-1-rich granule lumen / iron ion binding / immune response / negative regulation of cell population proliferation / Neutrophil degranulation / extracellular exosome / extracellular region / identical protein binding / membrane / nucleus / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Di Costanzo, L. / Christianson, D.W. | ||||||
![]() | ![]() Title: Directing noble metal ion chemistry within a designed ferritin protein. Authors: Butts, C.A. / Swift, J. / Kang, S.G. / Di Costanzo, L. / Christianson, D.W. / Saven, J.G. / Dmochowski, I.J. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 50.7 KB | Display | ![]() |
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PDB format | ![]() | 36.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 395.2 KB | Display | ![]() |
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Full document | ![]() | 396.4 KB | Display | |
Data in XML | ![]() | 5.8 KB | Display | |
Data in CIF | ![]() | 7.7 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 2z6mSC ![]() 3erzC 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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1 | ![]()
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Unit cell |
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Components on special symmetry positions |
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Components
#1: Protein | Mass: 21123.500 Da / Num. of mol.: 1 Mutation: H13D, E64C, K86Q, C90R, C102A, H105Q, C130S, E140C, K143C, E147C Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() | ||||
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#2: Chemical | ChemComp-AU / #3: Chemical | #4: Water | ChemComp-HOH / | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 3.06 Å3/Da / Density % sol: 59.86 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 4.6 Details: Protein solution (11.0 mG/mL H8 in unbuffered 3.0MM NaN3), 2.5mL of precipitant buffer (0.1 M sodium acetate (PH 4.6), 20%(V/V) isopropanol, 0.2M CaCl2), VAPOR DIFFUSION, HANGING DROP, ...Details: Protein solution (11.0 mG/mL H8 in unbuffered 3.0MM NaN3), 2.5mL of precipitant buffer (0.1 M sodium acetate (PH 4.6), 20%(V/V) isopropanol, 0.2M CaCl2), VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 298K. Soaking crystals were performed using a mother liquor (no calcium ions) with the addition of 0.5 mM AuCl3 for one week. |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC QUANTUM 270 / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.98066 Å / Relative weight: 1 |
Reflection | Resolution: 2.8→50 Å / Num. all: 6736 / Num. obs: 6736 / % possible obs: 98.8 % / Redundancy: 5.1 % / Biso Wilson estimate: 46.3 Å2 / Rmerge(I) obs: 0.128 / Net I/σ(I): 14.1 |
Reflection shell | Resolution: 2.8→2.9 Å / Redundancy: 4.1 % / Rmerge(I) obs: 0.38 / Mean I/σ(I) obs: 3.2 / % possible all: 98.8 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: 2Z6M; one monomer Resolution: 2.795→34.942 Å / Occupancy max: 1 / Occupancy min: 0.19 / SU ML: 3.22 / σ(F): 0.13 / Phase error: 25.32 / Stereochemistry target values: ML
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL / Bsol: 20 Å2 / ksol: 0.284 e/Å3 | ||||||||||||||||||||||||
Displacement parameters | Biso mean: 26.062 Å2
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Refinement step | Cycle: LAST / Resolution: 2.795→34.942 Å
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Refine LS restraints |
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LS refinement shell |
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