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Yorodumi- PDB-3c3h: alpha/beta-Peptide helix bundles: A GCN4-pLI analogue with an (al... -
+Open data
-Basic information
Entry | Database: PDB / ID: 3c3h | |||||||||
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Title | alpha/beta-Peptide helix bundles: A GCN4-pLI analogue with an (alpha-alpha-beta) backbone and cyclic beta residues | |||||||||
Components | alpha/beta-peptide based on the GCN4-pLI side chain sequence, with an (alpha-alpha-beta) backbone and cyclic beta-residues at positions 1, 4, 10, 19, 22, and 28 | |||||||||
Keywords | DE NOVO PROTEIN / helix bundle / foldamer / alpha/beta-peptide / UNKNOWN FUNCTION | |||||||||
Method | X-RAY DIFFRACTION / MOLECULAR REPLACEMENT / Resolution: 2.2 Å | |||||||||
Authors | Horne, W.S. / Price, J.L. / Gellman, S.H. | |||||||||
Citation | Journal: Proc.Natl.Acad.Sci.Usa / Year: 2008 Title: Interplay among side chain sequence, backbone composition, and residue rigidification in polypeptide folding and assembly. Authors: Horne, W.S. / Price, J.L. / Gellman, S.H. | |||||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 3c3h.cif.gz | 26.3 KB | Display | PDBx/mmCIF format |
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PDB format | pdb3c3h.ent.gz | 18.5 KB | Display | PDB format |
PDBx/mmJSON format | 3c3h.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/c3/3c3h ftp://data.pdbj.org/pub/pdb/validation_reports/c3/3c3h | HTTPS FTP |
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-Related structure data
-Links
-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/peptide | Mass: 4024.901 Da / Num. of mol.: 1 / Source method: obtained synthetically / Details: synthetic peptide |
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#2: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: X-RAY DIFFRACTION / Number of used crystals: 1 |
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-Sample preparation
Crystal | Density Matthews: 1.8 Å3/Da / Density % sol: 31.81 % |
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Crystal grow | Temperature: 298 K / Method: vapor diffusion, hanging drop / pH: 8.5 Details: 0.1 M Tris pH 8.5, 0.7 M diammonium tartrate, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ROTATING ANODE / Type: BRUKER AXS MICROSTAR / Wavelength: 1.5418 Å |
Detector | Type: BRUKER SMART 6000 / Detector: CCD / Date: Nov 13, 2007 / Details: confocal mirrors |
Radiation | Monochromator: gobel mirrors / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→35.5 Å / Num. all: 1711 / Num. obs: 1690 / % possible obs: 98.8 % / Redundancy: 5.6 % / Rsym value: 0.098 / Net I/σ(I): 12.6 |
Reflection shell | Resolution: 2.2→2.3 Å / Redundancy: 3.7 % / Mean I/σ(I) obs: 3.7 / Rsym value: 0.309 / % possible all: 92.7 |
-Processing
Software |
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Refinement | Method to determine structure: MOLECULAR REPLACEMENT / Resolution: 2.2→22.01 Å / Cor.coef. Fo:Fc: 0.923 / Cor.coef. Fo:Fc free: 0.842 / SU B: 8.658 / SU ML: 0.208 / Cross valid method: THROUGHOUT / ESU R: 0.389 / ESU R Free: 0.259 / Stereochemistry target values: MAXIMUM LIKELIHOOD / 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: 1.4 Å / Solvent model: MASK | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 10.926 Å2
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Refinement step | Cycle: LAST / Resolution: 2.2→22.01 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.257 Å / Total num. of bins used: 20
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