Sample Components

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Sample Component Types
Type Subtype Comments
Bio Macromolecule Protein
Nucleic Acid - DNA
Nucleic Acid - RNA
Carbohydrate
Small molecules Metabolite
Natural Product
Other organic Organic compounds not classified elsewhere
Chemical Formula Chemical Formula Explicit formula-based representation of a compound.
Polymer Polymer
Mixtures Biological Material
Environmental Sample
Components Solvent System
Buffer
Salt
Internal Standard
Indirect Referencing Standard
Additives Detergent
Lipid
Micelle
Bicelle
Nano-disk
Stretched or Compressed Gell
Excipient
Polarizing Agent
Paramagnetic compound
Other Other Any sample not classified in the above categories
Protein Details
Name Description
Molecular Weight Molecular weight of the protein
Purity (%) Estimated percentage purity of the sample (e.g., from SDS-PAGE or gel filtration)
Uniport ID Accession ID linking the protein to the UniProt database.
Number of subunits How many subunits
AA Sequence Exact sequence of construct in the NMR tube (including any uncleaved tags or additional amino acids)
Protein conformational state Specify if the protein is globular, membrane, fibril or disordered
Monomer/Homo-Oligomer Indicate if the protein exists as a monomer or homo-oligomer; if oligomeric, specify whether it is symmetric or asymmetric.
Modification Enter protein modification, its type, location in the AA sequence and description.

There is a list of suggested modification types but user can enter their custom type Suggested types include"

  1. Linkage - Disulfide
  2. Post-translation Modification
    • Phosphorylation
    • Acetylation
    • Glycosylation
    • Lipidation
    • Nitrosylation
    • Ubiquitination
  3. Non-standard AA
  4. Paramagnetic Tags
  5. Purification Tags
    • N-His6
    • C-His6
    • N-Strep
    • C-Strep
    • N-GST
    • C-GST
    • N-Trx (Thioredoxin)
    • C-Trx