(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: A00
File name: alatis_output_compound.sdf
|
Formula: C33H44N4O6S1 Compound mass: 624.7888999999975 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 |
| A00 | 2QMP |
| MUW | 2Q3K |
| 595 | 3M9F |
| 478 | 3NU3 4J5J 3NU9 4RVJ 1T7J 3NU4 3S45 3OXV 3NUJ 3SM2 3EKV 1HPV 5KR0 3EM3 3EKP 3NU6 3NU5 4JEC 3NUO 5T8H 3S43 |
| PI9 | 1D4L |
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.