(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 143
File name: alatis_output_compound.sdf
|
Formula: C8H13N3O5S1 Compound mass: 263.2704000000001 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 |
| 143 | 1KEE 1JVN |
| 5CS | 2W7T 1OX5 |
| C3Y | 2UXY |
| 60F | 6P5E 5HD3 5HD5 6OP5 5HDC 6P5G 6P5D 6P5F 5HDS 5HDD 6P4I 6CO0 |
| TLG | 4C72 4C6V 4C6U |
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.