(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: B8N
File name: alatis_output_compound.sdf
|
Formula: C14H22N3O11P1 Compound mass: 439.31089999999995 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.41
List of identified carbohydrate fragments:
-
C8H9O4
Fragment probability: 1.00
Fragment mass: 144.125
Fragment main chain atoms: [10, 9, 8, 28, 11]
Fragment all atoms: [10, 43, 19, 48, 9, 42, 18, 47, 8, 41, 5, 38, 39, 27, 28, 11, 44, 6, 4, 12, 37]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| C4J | 6FYY 6AZ1 6FYX |
| B8N | 6OLE 6MTD 6MTE 6MTB 6QZP 6MTC 6OM7 6OLF 6OLI 6OM0 6EK0 |
| B8H | 6MTB 6MTE 6MTD 6QZP 6EK0 6MTC |
| M1Y | 6AZ1 |
| 3TD | 5J5B 3J37 5WDT 6ORL 5J8A 3J11 3IZT 5J88 4V6R 5J91 5JC9 6OUO 6Q98 3J0W 5WFK 5IT8 4YBB 4V6P 4V6K 5WFS 5WE4 4V6O 6Q97 3J0T 5MDW 5LZE 5LZF 3J14 5MDV 3IZU 4V6S 3J9Y 5MDZ 3J0Y 6U48 6I7V 6OSQ 5LZB 6ORE 4V6L 6OSK 6C4I 5WE6 5AFI 5LZA 4V6V 6OST 6HRM 4V6Q 5LZD 5WF0 6OT3 6Q9A 3J12 5MDY 4V6N 5IQR 5NP6 5L3P 5LZC 5J7L 5KCS |
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.