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Yorodumi- PDB-1uao: NMR Structure of designed protein, Chignolin, consisting of only ... -
+Open data
-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) | ||||||
Components | Chignolin | ||||||
Keywords | DE NOVO PROTEIN / beta-hairpin / mini-protein / G-peptide / autonomous element | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Honda, S. / Yamasaki, K. | ||||||
Citation | Journal: Structure / Year: 2004 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: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 1uao.cif.gz | 45.6 KB | Display | PDBx/mmCIF format |
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PDB format | pdb1uao.ent.gz | 30.9 KB | Display | PDB format |
PDBx/mmJSON format | 1uao.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Summary document | 1uao_validation.pdf.gz | 341.3 KB | Display | wwPDB validaton report |
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Full document | 1uao_full_validation.pdf.gz | 406.9 KB | Display | |
Data in XML | 1uao_validation.xml.gz | 4.4 KB | Display | |
Data in CIF | 1uao_validation.cif.gz | 6.2 KB | Display | |
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ua/1uao ftp://data.pdbj.org/pub/pdb/validation_reports/ua/1uao | HTTPS FTP |
-Related structure data
Related structure data | |
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Similar structure data | |
Other databases |
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-Links
-Assembly
Deposited unit |
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1 |
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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. |
-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 |