(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SEA
File name: alatis_output_compound.sdf
|
Formula: C2H7N1S1 Compound mass: 77.14840000000004 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 |
| DHL | 4CG4 3Q1L 3SOM 5EJ0 4PA5 2Y8D 5APR |
| SEA | |
| ETM | 1QWZ 2C58 2XZ6 2HA7 1QXA 3TBE 2HA5 2C5G |
| GL3 | 5N28 1HBN 5A8K 3M1V 3M2R 3M2U 3POT 1E6Y 1HBM 5A0Y 3M30 5A8W 5G0R 1MRO 3M2V 3SQG 5N2A 1HBU 5N1Q 1HBO 5A8R 3M32 3BII |
| SCC | 3O1M 3H8O 4NIG 3O1O 4MGT 3H8R 3O1U 4NID 3O1P 1R4S 3O1V 3O1T 3BIE 3BKZ 3O1S 4MG2 3BI3 4NII 3BTX 3BU0 3BTZ 3O1R 4NIH 3H8X |
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.