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Peptide Registration

Peptides can be registered in CDD Vault by sequence.

Peptide registration: by sequence

Please note: the multiple registration types can be enabled by CDD Support - please contact CDD Support if you wish to enable additional registration types within your Vault(s).

Steps for creating a peptide with the sequence

  • choose the "Amino Acid" registration type
  • type or paste an amino acid sequence into the text box, or leave it blank to create a sequence-less record
  • Enter values for the available data fields
  • click the "Create" button

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To enter a valid sequence:

        • Registration supports sequences of 1-letter or 3-letter amino acid codes.

        • All non-alphabetical characters, including spaces, are ignored.

        • To register a sequence of 1-letter codes:

            • Sequence must be entirely uppercase.

            • Example: LRVILCA

        • To register a sequence of 3-letter codes:

            • Amino acid codes must follow the capitalization format upper-lower-lower

            • Any delimiters are ignored.

            • Example 1: LeuArgValIleLeuCysAla

            • Example 2: Leu-Arg-Val-Ile-Leu-Cys-Ala

        • custom/unnatural amino acids can also be registered once they are created by the Vault Administrator in the new Account Management Interface. When a modified acid is created by the Vault Administrator, a Unique Code is provided which can then be used when registering the amino acid sequences. E.g. if a modified Amino Acid is “ppgT”, the syntax to register a new amino acid entity will be: A[ppgT]C or Ala[ppgT]Cys.

 

Valid standard amino acid codes:

3-letter: 1-letter: 3-letter: 1-letter: 3-letter: 1-letter:
Ala A Ile I Tyr Y
Arg R Leu L Val V
Asn N Lys K Sec U
Asp D Met M Pyl O
Cys C Phe F Asx B
Gln Q Pro P Glx Z
Glu E Ser S Xle J
Gly G Thr T Xaa X
His H Trp W    

 

Tips

If you wish to keep the original character string of your sequence, you can add a batch field in your Vault, name for instance "Sequence N->C".  The character limit on a Text-type Batch Field is relatively large (65,000 characters) so you should be safe in saving the sequence of biomolecules as large as enzymes.  It could be advantageous to have this as a a required field. Any number of alternatives are possible, e.g. having a text field containing the structure in HELM notation.

When registering larger sequences, or sequences with unnatural AAs, sidechains, siRNAs, and the likes, structureless registration should work well.

In all cases, it is advisable to have a unique external identifier in case you desire to have batch-level control over your peptides. This could be either an ID by name, number, or the sequence itself.

Settings for your vault could contain following entries (Settings > Vault > Batch Fields):

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An batch entry would then look something like this:

 

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Tips & Tricks

In case you don't have separate batch fields for your letter sequence, you can always retrieve the originally registered sequence:
Click on your structure to open the copy box. On the bottom you will see the text "Original". Click there and the box will give you the original registration text (as MOL structure format; copy/past this into an editor and you should see your original input sequence again). 

For single compound (sequence) registration, mixing multiple annotations, as well as combining with full out drawn chemical structures, is certainly possible (again, note: single letters will be converted to 3-Letter annotation).

E.g. within the editor, you can create disulfide bridges by drawing a line from a CYS to another CYS. 

Changes to a further chemically modified amino acid are also possible. Click on an AA residue and have it expanded, followed by adding any modifications, see e.g. the below shown a His with added F and c-propyl. Of course you could simply draw the full structure from scratch.

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