(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: LJ1
File name: alatis_output_compound.sdf
|
Formula: C16H16O1 Compound mass: 224.29700000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.20
- Compound probability: 0.29
List of identified carbohydrate fragments:
-
C5H4
Fragment probability: 0.20
Fragment mass: 50.0586
Fragment main chain atoms: [8, 9]
Fragment all atoms: [8, 29, 14, 6, 7, 27, 28, 9, 30]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| LJ1 | 3CN0 |
| STL | 2YDX 5U90 1CGZ 5BTR 2L98 1SG0 4HDA 4QER 1U0W 5J54 1DVS 5NZL 1Z1F 3MNQ 4JAZ 3FTS 3CKL 4QOH 4QOJ 4PP6 2JIZ 4DPN 4Q93 5CR1 |
| PIT | 5U97 4HD8 2JJ1 |
| EZE | 6GIC |
| EZH | 6GIC |
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.