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- PDB-1uao: NMR Structure of designed protein, Chignolin, consisting of only ... -
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Basic information
Entry | Database: PDB / ID: 1uao | ||||||
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Title | NMR Structure of designed protein, Chignolin, consisting of only ten amino acids (Ensembles) | ||||||
![]() | Chignolin | ||||||
![]() | DE NOVO PROTEIN / beta-hairpin / mini-protein / G-peptide / autonomous element | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Honda, S. / Yamasaki, K. | ||||||
![]() | ![]() Title: 10 residue folded peptide designed by segment statistics Authors: Honda, S. / Yamasaki, K. / Sawada, Y. / Morii, H. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 45.6 KB | Display | ![]() |
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PDB format | ![]() | 30.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
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-Validation report
Summary document | ![]() | 341.3 KB | Display | ![]() |
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Full document | ![]() | 406.9 KB | Display | |
Data in XML | ![]() | 4.4 KB | Display | |
Data in CIF | ![]() | 6.2 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data | |
Other databases |
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Links
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Assembly
Deposited unit | ![]()
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NMR ensembles |
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Components
#1: Protein/peptide | Mass: 1082.078 Da / Num. of mol.: 1 / Source method: obtained synthetically Details: The Sequence was designed on the basis of statistics derived from numerous protein segments. |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||
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NMR experiment |
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NMR details | Text: This structure was determined using standard 2D Homonuclear techniques. |
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Sample preparation
Details | Contents: 2mM CHIGNOLIN / Solvent system: 95% H2O/5% D2O |
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Sample conditions | Ionic strength: 20mM sodium phosohate / pH: 5.5 / Pressure: AMBIENT / Temperature: 277 K |
-NMR measurement
NMR spectrometer | Type: Bruker AMX / Manufacturer: Bruker / Model: AMX / Field strength: 500 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 Details: The structures are based on a total of 185 restraints, 172 are NOE-derived distance constraints, 12 dihedral angle restraints,1 distance restraints from hydrogen bonds. | |||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 50 / Conformers submitted total number: 18 |