(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 0CN
File name: alatis_output_compound.sdf
|
Formula: C4H8O7P2 Compound mass: 230.04940000000008 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.42
- Compound probability: 0.38
List of identified carbohydrate fragments:
-
C3H3O1
Fragment probability: 0.42
Fragment mass: 69.0817
Fragment main chain atoms: [4, 3, 2]
Fragment all atoms: [4, 17, 18, 10, 3, 16, 2]
-
C2H2
Fragment probability: 0.25
Fragment mass: 39.0558
Fragment main chain atoms: [1, 2]
Fragment all atoms: [1, 14, 15, 2]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 0CN | 3UV7 |
| DMA | 3OYR 3Q1O 3P41 3PDE 1UBY 2ZRX 3B06 4GP2 5XK9 5YNT 6QLG 5YNU 4TQ4 3KEF 5XK7 2ZRZ 4GP1 3EPL 2ICK 3QQV 1YHL 3Q2Q |
| P22 | 1T9B 1YBH 1YI1 1YI0 1YHZ 1T9D 1YHY 1T9C |
| H6P | 3SZL 3T0G 4S23 4K55 4S39 6J0K 3T0F 6J0G 3SZO 3SZU 5ZXK |
| 10E | 3ZGL 4H4D |
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.