Sample Components/Component Details

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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 Users can document modifications type, location in the amino acid sequence, and an optional description. While a list of common modification types is provided, custom types may also be entered.

Suggested modification types:

  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
Nucleic Acid (DNA, RNA) Details
Name Description
Molecular Weight Molecular weight of the nucleic acid
Purity (%) Estimated percentage purity of the sample (e.g., from SDS-PAGE)
GenBank ID
NA Sequence 5’-3’ Nucleic Acid Sequence (Note: Fasta format entry)
Non-Standard If the sequence has non-standard bases, provide a description
Covalent Linkage If the sequence has covalent linkage, define its type and location
Modification Users can document modifications type, location in the sequence, and an optional description. While a list of common modification types is provided, custom types may also be entered.

Suggested modification types:

  1. Linkage
  2. Post-translation Modification
    • Phosphorylation
    • Acetylation
    • Glycosylation
    • Lipidation
    • Nitrosylation
    • Ubiquitination
  3. Non-standard NA
  4. Paramagnetic Tags
  5. Purification Tags
    • N-His6
    • C-His6
    • N-Strep
    • C-Strep
    • N-GST
    • C-GST
    • N-Trx (Thioredoxin)
    • C-Trx
Small molecules/Chemical Formula Details
Name Description
Molecular Weight Molecular weight of the chemical substance
Purity (%) Estimated percentage purity of the sample
PUBChem ID Identifier from the PubChem database of chemical molecules (Compound ID number)
CAS ID Unique identification number assigned by the Chemical Abstracts Service (CAS)
Chemical Formula Enter chemical formula
InChI Standardized InChI identifier
Class Class of Material:
  • Small molecule
  • Polycrystalline
  • Amorphous
  • Zeolite
  • Single Crystal
  • Heterostructure
  • Glass
Class Description Detailed description of the material class
Polymer Details
Name Description
Tacticity Define tacticity type:
  • Atactic
  • Eutactic
  • Isotactic
  • Syntactic
  • Indeterminate
Branching Linear or branched
Source Synthetic or biological. If the polymer is biological, user has an option to enter biological source
Weight Average Molecular Weight In kDa
Number Average Molecular Weight In kDa
Dispersity
Specify polymer repeat sequence User has an option to provide:

Number of Subunits Degree of substitution Length of repeated sequence Sequence order Total number of repeats

Description Additional information about the polymer