(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ZAN
File name: alatis_output_compound.sdf
|
Formula: C10H17N6O12P3 Compound mass: 506.1956999999999 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.32
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.12100000000004
Fragment main chain atoms: [27, 10, 7, 6, 4]
Fragment all atoms: [27, 10, 39, 16, 7, 38, 18, 44, 6, 37, 17, 43, 4, 36, 1, 32, 33, 26]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ZAN | 6F33 6P1R 3UPQ |
| DZ4 | 6Q02 6DSU 6CST 3MR3 5T14 5F9L 6D0Z 3JAA 4J9O 5W2C 3MR2 4IRD 4O3O 6M7P 6CUB 5DG8 6E3X 4DL7 6M7V 5DQG 6P1N 3MR4 4RNM 6BS1 3SI8 |
| AU1 | 4BR0 4BRC 4KH5 4KH6 4BR7 |
| A0P | 4B8L |
| ANK | 3AN0 3VN9 |
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.