Importing Sequence protein
You can add a sequence protein using two different methods.
Method 1. Add a chain using the Search protein by name function.
You can search for the desired protein using its gene name or protein name, and add it to your list.
To register the protein, click Add protein.
Please ensure that the registration type is set to Sequence.
Click the Search & Add protein button.
Enter the information for the protein you want to add. You can use Protein name, Gene name, Organism, UniProt ID, or PDB ID.
From the search results, select the protein you want to add, then click the Next button.
If the selected protein has multiple detailed options such as Mutation, PTM, or Coenzyme, the available options and example 3D structures will be displayed. Proteins with ligands that are more likely to be active compounds are sorted toward the top.
Select the protein with the desired option values, then click the Next button.
Finally, review the detailed information of the selected protein, then click the Add button.
You can now review the information of the added protein chain.
After confirming the protein name, click the Save button to complete the registration.
After the calculation is complete, you can activate the protein to perform AI experiments.
Method 2. Add a chain manually.
If you already have the sequence information of the protein, you can manually add a chain to register the protein.
Select the Type. Supported types include Protein, RNA, DNA, Coenzyme, and Inorganic ion. Set the type according to the chain you want to add.
Set the Copies value. If you want to add the same chain multiple times, you can specify the number of copies to add multiple protein chains from a single chain definition.
Enter the chain information. For Protein, RNA, and DNA, input the sequence information. For Coenzyme, enter the SMILES representation. For Inorganic ion, select the appropriate ion from the list.
(Optional) Configure PTMs & Modifications.
You can configure PTMs as needed.
Click the ... button next to the Protein Type chain, then select Set PTM & Modification.
Select the amino acid you want to modify, then choose an option from the Available PTMs section.
After confirming that the selected PTM has been added, click the Confirm button.
(Optional) Configure the Binding site.
You can set the binding site if needed.
Click the ... button next to the Protein, RNA, or DNA type chain, then select Set binding site.
Select the amino acid you want to define as part of the binding site.
After confirming that the selected residue has been added, click the Confirm button.
After setting the protein name, click the Save button to complete the protein registration.
Once the calculation is complete, activate the protein to run AI experiments.
Last updated
Was this helpful?