(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AG
File name: alatis_output_compound.sdf
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Formula: Ag1 Compound mass: 107.8682 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 |
| AG | 1AQQ 2KE8 5A4G 5FFE 5XUV 2MZC 2X50 6G48 5F0W 2G7N 6JR4 2M54 6NIZ 2RVP 3NSD 1AOO 6IO6 3H94 2AW0 5KU5 2X17 5Z3W 5IX7 3RU5 1Q06 5NXL 6IO4 3UGE 5F0U 3OPO 5FFD 5XJZ 5AFA 4X89 2VB3 2QCP 3KSO 5AY2 4WLW |
| ZSN | 4AWB |
| R2G | 3KVR |
| R2B | 3KVY 3KVV |
| MM6 | 2H9K |
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.