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Open data
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Basic information
Entry | Database: PDB / ID: 7kpd | ||||||
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Title | NMR Solution Structure of Acyclotide ribe 31 | ||||||
![]() | Acyclotide ribe 31 | ||||||
![]() | ANTIMICROBIAL PROTEIN | ||||||
Biological species | ![]() | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
![]() | Harvey, P.J. / Craik, D.J. / Dang, T.T. | ||||||
![]() | ![]() Title: In Planta Discovery and Chemical Synthesis of Bracelet Cystine Knot Peptides from Rinorea bengalensis . Authors: Dang, T.T. / Chan, L.Y. / Tombling, B.J. / Harvey, P.J. / Gilding, E.K. / Craik, D.J. | ||||||
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 166.5 KB | Display | ![]() |
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PDB format | ![]() | 139.9 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 493.8 KB | Display | ![]() |
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Full document | ![]() | 572.4 KB | Display | |
Data in XML | ![]() | 12.9 KB | Display | |
Data in CIF | ![]() | 20 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data | |
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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: 3139.802 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) ![]() |
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-Experimental details
-Experiment
Experiment | Method: SOLUTION NMR | ||||||||||||||||||||||||||||||
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NMR experiment |
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Sample preparation
Details | Type: solution / Contents: 1.0 mM ribe 31, 90% H2O/10% D2O / Label: sample_1 / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 1.0 mM / Component: ribe 31 / Isotopic labeling: natural abundance |
Sample conditions | Ionic strength: nd Not defined / Label: conditions_1 / pH: 4 / Pressure: 1 atm / Temperature: 298 K |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE III HD / Manufacturer: Bruker / Model: AVANCE III HD / Field strength: 600 MHz |
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Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 4 | |||||||||||||||
NMR representative | Selection criteria: lowest energy | |||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the least restraint violations Conformers calculated total number: 100 / Conformers submitted total number: 20 |