(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: LA
File name: alatis_output_compound.sdf
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Formula: La1 Compound mass: 138.9055 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 |
| LA | 2I18 2RPV 5YTQ 6HVQ 1DJG 1KQV 1NKF 2OQR 2K0J 5KKB 5KIJ 6IP9 5X84 1KSM 6DAM |
| 73M | 5L4R 5N26 |
| PA0 | 3E3Z 5DAL 5EG5 6QHK 4KW7 |
| TTA | 1HYV |
| BNS | 1PQ9 |
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
Disclaimer:
- The custom source code, developed using Python3 in the Linux environment. This work is copyrighted under the terms of GPL, and the results are released under CC0 1.0 Universal of the Open Science Framework. The web-service and the source codes are provided on an “as is” basis without warranty of any kind, either expressed or implied. Any usage of the web-server, or modification and application of the source codes are free for academic use when CTPIC publications are cited.
- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.