(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: UD5
File name: alatis_output_compound.sdf
|
Formula: C9F1H12N2O8P1 Compound mass: 326.1719000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.48
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [6, 5, 4, 20, 8]
Fragment all atoms: [6, 27, 14, 31, 5, 26, 13, 30, 4, 25, 2, 23, 24, 19, 20, 8, 28, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| UD5 | 1ZL3 |
| 5FU | 2VP6 2E9T 3G3D 3SW6 2QCF 3SGU 3G3M 3MW7 3G1V |
| UFP | 6QXG 4Q0E 4GSI 6PF9 6PFA 4KY8 4FOA 6PFE 6PFH 3GWC 6PF7 1O28 6OJS 1O29 6PFB 6PF8 5FCT 6PFG 6PFC 1TLS 6PFI 4FOG 6PFF 4Q0D 1ICG 6PFD 1DNF 1TSN 1ID9 3H9K 6QXS 2TDD 1VZC 1TDB 3EJL 1B02 1VZD 1BJG |
| 5UD | 4A7S 4PB2 1RXC 1TGV |
| FNU | 3N34 3S9Y 3N2M 3SSJ |
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.