(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PAS
File name: alatis_output_compound.sdf
|
Formula: C4H8N1O7P1 Compound mass: 213.08230000000006 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.84
- Compound probability: 0.69
List of identified carbohydrate fragments:
-
C4H4N1O4
Fragment probability: 0.84
Fragment mass: 132.0945
Fragment main chain atoms: [3, 1, 2, 4]
Fragment all atoms: [3, 6, 12, 1, 14, 15, 2, 16, 5, 4, 7, 8, 19]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| ASQ | |
| PHD | 3RQI 5E4H 4HYT 1LVH 4UHK 3N23 4RES 3N2F 6U7L 3LMH 4OTP 2YBX 1QMP 1ZY2 1D5W 3L0B 3CRN 3BA6 1K68 4ZMF 4ZME 4RET 6R76 2FPW 4GYI 1DC8 2A9R 1NXT |
| PAS | |
| 4TP | 1PS6 |
| RGP | 2J5V 3QAJ |
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.