(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: D4T
File name: alatis_output_compound.sdf
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Formula: C10H15N2O13P3 Compound mass: 464.1525 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 |
| D4T | 6ANQ 6AVM 1F3F 6AMO 6ASW 6AVT 6AN8 6AN2 |
| D4D | 1F3F |
| D4M | 1Z4Q |
| 23T | 2HHW |
| D3T | 3UXP 3HX0 2IHM 3HP6 1TK8 3PV8 4P4O 1XSN 3HW8 4F3O 3MGI 3C5G 1TKD 3HWT 4I27 4EZ9 4P4M |
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.