• Example saccharides
• Example non-saccharides
• RCSB Ligand Expo entries
• Saccharide entries in Ligand Expo
• Saccharide fingerprints

Submission ID: 1ZK
File name: alatis_output_compound.sdf

Download outputs in JSON format here.

Probabilities of the best carbohydrate fragment:

• Fragment probability: 0.43
• Compound probability: 0.36

List of identified carbohydrate fragments:

• C₁₀H₁₁N₂O₄
  Fragment probability: 0.43
  Fragment mass: 213.21
  Fragment main chain atoms: [26, 38, 50, 36, 43, 51, 35, 41]
  Fragment all atoms: [26, 102, 103, 59, 38, 53, 50, 36, 109, 23, 97, 98, 33, 43, 56, 51, 35, 108, 22, 95, 96, 30, 107, 41, 112, 54, 120]
  

• C₁₄H₁₅N₂O₅
  Fragment probability: 0.42
  Fragment mass: 226.22860000000003
  Fragment main chain atoms: [26, 38, 50, 36, 43, 51, 35, 41, 42]
  Fragment all atoms: [26, 102, 103, 59, 38, 53, 50, 36, 109, 23, 97, 98, 33, 43, 56, 51, 35, 108, 22, 95, 96, 30, 107, 41, 112, 54, 120, 42, 113, 39, 110, 28, 44, 105, 55, 121]
  

• C₇H₉N₁O₂
  Fragment probability: 0.43
  Fragment mass: 67.089
  Fragment main chain atoms: [41, 42]
  Fragment all atoms: [41, 112, 35, 108, 22, 95, 96, 51, 54, 120, 42, 113, 39, 110, 28, 44, 105, 55, 121]
  

Most similar ligands:

Citation:

• Hesam Dashti, William M. Westler, Jonathan R. Wedell, Olga V. Demler, Hamid R. Eghbalnia, John L. Markley & Samia Mora, Probabilistic identification of saccharide moieties in biomolecules and their protein complexes, Scientific Data volume 7, Article number: 210 (2020), https://doi.org/10.1038/s41597-020-0547-y, https://www.nature.com/articles/s41597-020-0547-y

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