Sequence of active sites of enzyme

[Lauraripley]

hello I just wonder how I could get the sequence of active sites of enzyme any suggestions are very welcome

Regards

[ARGERINE (Dr. Gaganjot Singh)]

Hi Laura

There are multiple approaches to do this using Bioinformatics

1. Use Conserved Domain Databases

These help predict catalytic/active sites even if not experimentally confirmed:

• InterPro (InterPro)
• Pfam (http://pfam.xfam.org/)
• Prosite (https://prosite.expasy.org/)

Upload or paste your sequence → Get domain and motif positions, often including active site patterns

2. 3D Structure Mapping (Optional but Powerful)

If UniProt has a PDB structure (or you can use AlphaFold predictions):

• Load structure in PyMOL or UCSF Chimera.
• Use annotations or literature to locate and extract active site residues.
• Alternatively, use tools like:
  • CASTp (CASTp 3.0: Computed Atlas of Surface Topography of proteins)
  • DoGSiteScorer (https://proteins.plus/)