(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MCO
File name: alatis_output_compound.sdf
|
Formula: C9H15N1O3S1 Compound mass: 217.2847000000001 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 |
| MCO | 1M2X 4C1C 1JT1 2FU8 4C1E 1UZF 2QDS 5ZJ2 1J37 3LUS 4C1G |
| X8Z | 4C1F 4DPR 4C2P 6U10 1J37 4EXS 4C1D 4C1H 5ZIO 3LUS 5AYA 4PQA 2X8Z |
| ZB6 | 4KZ6 |
| N7P | 3P9Y 6AX4 4AVS 1NX8 5IVN 4Y69 4Y6V 5T1I 4Y6A 6I2G |
| N8P | 4AYU |
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.