(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CYS_LL_DHG
File name: alatis_output_compound.sdf
|
Formula: C3H4N1O1S1 Compound mass: 102.13480000000003 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 |
| CYS_LL | |
| CYS_LSN3_DHG | |
| CYS_LSN3 | |
| CYS_LL_DHG | |
| CY3 | 1R9I 6DN8 1DFY 2V1S 1DFZ 1D7T 2V1T 1DG0 2BYP 3QW7 5HYQ 3QW6 5JYQ 5AZ8 5HPM 3QW8 |
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.