(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MNB
File name: alatis_output_compound.sdf
|
Formula: C7H5N1O4S1 Compound mass: 199.18370000000004 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 |
| MNB | 4F44 5W3A 5W2R 4F42 1RXE 1F42 5LB1 3QVO 5W2Z 2PER 3URG |
| 4NB | 5N3J 5J8G 3CHT |
| 6R6 | 5K8N |
| 6AB | |
| BE2 | 1F8S 1E8N 6B35 6S07 3H78 1ZYK 6B34 1ZFP 1AN9 6ANN 4X5E 1C0I 4YI7 2YR6 2GVQ 2E4A 2JB3 4OWV 4X5D 6ANM 2HU8 5FJN 3T44 |
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.