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- PDB-7q1t: A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB -
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Open data
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Basic information
Entry | Database: PDB / ID: 7q1t | ||||||
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Title | A de novo designed hetero-dimeric antiparallel coiled coil apCC-Di-AB | ||||||
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![]() | DE NOVO PROTEIN / antiparallel / hetero-dimeric / coiled-coil / de novo / protein design / associating peptides | ||||||
Function / homology | N-PROPANOL![]() | ||||||
Biological species | synthetic construct (others) | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Shanmugaratnam, S. / Rhys, G.G. / Dawson, W.M. / Woolfson, D.N. / Hocker, B. | ||||||
Funding support | European Union, 1items
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![]() | ![]() Title: De novo designed peptides for cellular delivery and subcellular localisation. Authors: Rhys, G.G. / Cross, J.A. / Dawson, W.M. / Thompson, H.F. / Shanmugaratnam, S. / Savery, N.J. / Dodding, M.P. / Hocker, B. / Woolfson, D.N. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 59.1 KB | Display | ![]() |
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PDB format | ![]() | 37.6 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 438.7 KB | Display | ![]() |
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Full document | ![]() | 438.7 KB | Display | |
Data in XML | ![]() | 5.6 KB | Display | |
Data in CIF | ![]() | 6.9 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 7q1qC ![]() 7q1rC ![]() 7q1sC 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 on special symmetry positions |
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Components
#1: Protein/peptide | Mass: 3252.496 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) | ||||||
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#2: Protein/peptide | Mass: 3495.204 Da / Num. of mol.: 1 / Source method: obtained synthetically / Source: (synth.) synthetic construct (others) | ||||||
#3: Chemical | #4: Chemical | ChemComp-SO4 / | #5: Water | ChemComp-HOH / | Has ligand of interest | N | |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.88 Å3/Da / Density % sol: 57.26 % |
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Crystal grow | Temperature: 293 K / Method: vapor diffusion, sitting drop / pH: 4.2 Details: 0.2M lithium sulfate, 0.1M phosphate citrate pH 4.2, 10% isopropanol |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Jan 28, 2021 |
Radiation | Monochromator: DCM Si(111) / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 0.9184 Å / Relative weight: 1 |
Reflection | Resolution: 1.68→24.19 Å / Num. obs: 8726 / % possible obs: 98.3 % / Redundancy: 10.5 % / Biso Wilson estimate: 29.45 Å2 / CC1/2: 0.994 / CC star: 0.998 / Rmerge(I) obs: 0.415 / Rpim(I) all: 0.135 / Rrim(I) all: 0.437 / Net I/σ(I): 30.55 |
Reflection shell | Resolution: 1.68→1.74 Å / Redundancy: 10.6 % / Rmerge(I) obs: 1.587 / Mean I/σ(I) obs: 1.33 / Num. unique obs: 854 / CC1/2: 0.269 / CC star: 0.652 / Rpim(I) all: 0.531 / Rrim(I) all: 1.678 / % possible all: 96.7 |
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Processing
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Refinement | Method to determine structure: ![]() Starting model: poly-alanine coiled-coil Resolution: 1.68→24.19 Å / SU ML: 0.2522 / Cross valid method: FREE R-VALUE / Phase error: 35.0697 Stereochemistry target values: GeoStd + Monomer Library + CDL v1.2
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Solvent computation | Shrinkage radii: 0.9 Å / VDW probe radii: 1.11 Å / Solvent model: FLAT BULK SOLVENT MODEL | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 41.03 Å2 | |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 1.68→24.19 Å
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Refine LS restraints |
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LS refinement shell |
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group | Refine-ID: X-RAY DIFFRACTION / Auth seq-ID: 1 - 30 / Label seq-ID: 1 - 30
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