(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CPR
File name: alatis_output_compound.sdf
|
Formula: C10Cl1H13N4O7P1 Compound mass: 367.65909999999997 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.43
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [6, 7, 10, 22, 4]
Fragment all atoms: [6, 29, 16, 33, 7, 30, 17, 34, 10, 31, 15, 22, 4, 28, 1, 24, 25, 21]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| CPR | 1B3O 1JCN 6MJY 1NFB |
| PR5 | |
| P5P | 2DD1 5AJ3 2DD3 4V19 1XV0 1MV6 2DD2 5AJ4 5APN 4G6P 5APO 1MV1 2B3J 1MV2 4G6S 1RBN |
| 7RP | 1L5L |
| 0A | 4WB3 4R8I 4WB2 |
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.