(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AB5
File name: alatis_output_compound.sdf
|
Formula: B1C6H16N1O5 Compound mass: 193.00530000000012 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 |
| FB6 | 3SL1 |
| AB5 | 3THH |
| 5AB | 3SJT |
| ABH | 3E6K 3E6V 4Q3Q 3THH 4GSV 1D3V 4GSZ 4GWD 6Q92 6Q9P 2AEB 2PLL 3MMR 4IU0 |
| 1EC | 4IE2 4IE1 |
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.