(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 41M
File name: alatis_output_compound.sdf
|
Formula: C16H29N5O3S1 Compound mass: 371.49700000000007 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 |
| 41M | 4S1D |
| A6B | 3P6P |
| T1O | 5WDK |
| BTI | 5CSL 3VA7 4HNV 3BG5 3N6R 1Z6H 3HBL 3HB9 3BG3 3U9S 3HO8 5KS8 4HNU 4HNT 3TW6 |
| BYT | 4M6V |
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.