(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PDT
File name: alatis_output_compound.sdf
|
Formula: C3H8S2 Compound mass: 108.22530000000005 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 |
| PDT | 1HFE 1E08 1GX7 |
| XL3 | 3RZL 3S57 3RZK 3S5A 3RZH 3RZM 3BTY 3RZJ 3RZG 3BUC |
| XL1 | |
| 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 |
| MPR | 1ETN 1XY2 3D1L 1ETL 1ETM |
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.