(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: IMC
File name: alatis_output_compound.sdf
|
Formula: C10H16N3O7P1 Compound mass: 321.2231000000001 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:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [2, 6, 7, 20, 8]
Fragment all atoms: [2, 25, 26, 6, 30, 14, 35, 7, 31, 4, 28, 29, 19, 20, 8, 32, 13]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| IMC | 1BE5 |
| TMP | 1CY2 4AVL 3B6O 5X8C 1CY8 1FXO 4E5U 1E9E 1N5K 1TMK 4O7T 2PAR 1H5S 5D3G 3B6P 1E2F 5D42 1OI6 1J53 1TYS 4DWJ 2IDO 2CCJ 1CY1 1Z4L 5F54 5T64 1E2G 4GTX 1E9C 3UDG 1N5L 5T6B 4S35 2WWF 3HW4 4CXO 1N5I 2O4G 5ZB4 1VTK 4EDH 4P9D 1CY7 5X86 1G3U 1LCB 2FTO 5XAI 2RDJ 5UIV 5DBS 5XB2 2CCG 5X8B 1MW8 2QQ0 1GTV 5ZAX 1J54 5CCY 1QZG 1GSI 5XB3 4XR9 1CY4 1E2D 4DWP 4O7S 1E2E 2Q7U 3LV8 2QXF 1E9F 3NDI 3BGX 1E2Q 2Q7T 6L18 |
| T | |
| 0DT | 1FV8 5VY7 |
| DT |
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.