(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DDY
File name: alatis_output_compound.sdf
|
Formula: C9H15N3O9P2 Compound mass: 371.17710000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| DDY | 1S9F |
| DCT | 2HVH 6GO6 4QZC 9ICS 4K4Y 4DQP 4QZG 4U6P 4BWM 4QZ8 4BWJ 2HVI 4QZB 1S97 3PX4 4ZTU 4QZF 4QZE 3PX6 4QZ9 6GO7 3KTQ 4DLG 2VA2 2FMP 2KTQ 4QZI 3OLB 6GO4 2BPG 4DLE 4QZA 2V9W 2C2R 4N5S 4QZH 2BPF 1TK0 4QZD 6P2G 6KWR 1BPY 3PY8 5IIJ 1T8E 9ICN |
| NQ4 | 6P1X |
| LTP | 4QWC |
| YYY | 2J4H 4UOG 3EVM 4QWB |
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.