(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SWG
File name: alatis_output_compound.sdf
|
Formula: C16H16N4O4 Compound mass: 328.32199999999995 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 |
| SWG | 4EN1 4AR7 3ZTF 2YE1 2YE0 4B5Y |
| CRF | 6QQB 6QQ9 2YDZ 6QQA 5DRF 6GEZ 5DQM 4RYW 2WSO 6QQ8 3LA1 4RTC 1OXD 5J2O 3GEX 4RYS 3I19 5DRG 6GEL 4AS8 5T3I 4H48 5DQB 2Q57 2WSN 4H47 1OXE 1CV7 |
| NYC | 1OXE 2Q57 1OXD |
| 5ZA | 1OXF |
| CQ2 | 4J89 6B9C |
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.