(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: B59
File name: alatis_output_compound.sdf
|
Formula: C9H8N4O4 Compound mass: 236.18390000000008 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| B59 | 3H2E |
| 6FP | 4L4T 4GUP |
| HHS | 3IP0 4NJG |
| 30W | 4PJX 4PJF 4PJH 4PJE 4PJ5 4PJI 4PJG 5D7I |
| TEP | 6ICO 1O15 3KBI 1EHT 2A3A 3ROX 4EOH 5MZJ |
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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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.