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Yorodumi- PDB-6ji7: Coffeetides: iron-binding cysteine rich peptides from coffee waste -
+Open data
-Basic information
Entry | Database: PDB / ID: 6ji7 | ||||||
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Title | Coffeetides: iron-binding cysteine rich peptides from coffee waste | ||||||
Components | coffeetide | ||||||
Keywords | PLANT PROTEIN / Coffee / cysteine-rich peptide / iron-binding / stable / coffee husk | ||||||
Biological species | Coffea canephora (robusta coffee) | ||||||
Method | SOLUTION NMR / simulated annealing | ||||||
Authors | Fan, J.S. / Huang, J.Y. / Wong, K.H. / Tay, S.V. | ||||||
Funding support | Singapore, 1items
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Citation | Journal: To Be Published Title: Coffeetides: iron-binding cysteine rich peptides from coffee waste Authors: Fan, J.S. / Huang, J.Y. / Wong, K.H. / Tay, S.V. | ||||||
History |
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-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Downloads & links
-Download
PDBx/mmCIF format | 6ji7.cif.gz | 98 KB | Display | PDBx/mmCIF format |
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PDB format | pdb6ji7.ent.gz | 83.3 KB | Display | PDB format |
PDBx/mmJSON format | 6ji7.json.gz | Tree view | PDBx/mmJSON format | |
Others | Other downloads |
-Validation report
Arichive directory | https://data.pdbj.org/pub/pdb/validation_reports/ji/6ji7 ftp://data.pdbj.org/pub/pdb/validation_reports/ji/6ji7 | HTTPS FTP |
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-Related structure data
Similar structure data | |
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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: 3773.326 Da / Num. of mol.: 1 / Source method: isolated from a natural source / Source: (natural) Coffea canephora (robusta coffee) |
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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 ncC1, 90% H2O/10% D2O / Label: unlabeled sample / Solvent system: 90% H2O/10% D2O |
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Sample | Conc.: 1.0 mM / Component: ncC1 / Isotopic labeling: natural abundance |
Sample conditions | Ionic strength: 0 Not defined / Label: con_1 / pH: 4.0 / PH err: 0.1 / Pressure: 1 atm / Temperature: 303 K / Temperature err: 0.1 |
-NMR measurement
NMR spectrometer | Type: Bruker AVANCE / Manufacturer: Bruker / Model: AVANCE / Field strength: 800 MHz |
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-Processing
NMR software |
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Refinement | Method: simulated annealing / Software ordinal: 1 | ||||||||||||||||||
NMR representative | Selection criteria: lowest energy | ||||||||||||||||||
NMR ensemble | Conformer selection criteria: structures with the lowest energy Conformers calculated total number: 200 / Conformers submitted total number: 10 |