(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FOO
File name: alatis_output_compound.sdf
|
Formula: C11H13N2O7P1 Compound mass: 316.2034000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.93
- Compound probability: 0.19
List of identified carbohydrate fragments:
-
C2H1O2
Fragment probability: 0.93
Fragment mass: 70.04670000000002
Fragment main chain atoms: [11, 9]
Fragment all atoms: [11, 15, 16, 32, 9]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| FOO | 2J9Y |
| AN7 | 3AEX |
| PFM | 2OAT |
| 3SO | 4OBV |
| PLR | 3FZ8 4LNM 4ZDP 3FSL 6K8H 2GJ4 3HL2 3USF 3PIU 2IEG 5D95 2IEI 5VYE 4ZDO 5HHY 1PMO 3GZD 4LNJ 3GZC 3MAU 2GM9 4ZDL 2CFB 4QYS |
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.