(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PO2
File name: alatis_output_compound.sdf
|
Formula: O2P1 Compound mass: 62.9726 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 |
| HP4 | 5ME4 6GHT |
| PO2 | 1Y27 1VQ5 1H4K 1VQ4 3HLL 3I55 1VQM 1VQP |
| PI | 5NB4 1NV6 5LRR 4FX7 3Q3Y 4EVZ 1JUY 4F1V 2OKN 4P7F 1NV2 3ETJ 3TIF 4F1U 4LZ3 |
| PHS | 4D4J 5AK0 4NP1 1FLO 5AJY 5AJX 4D4M 4D4L 3QPV 4D4K 1NXP 5AJW 1WKL 5AJZ 2I1V |
| 2PO | 6OC9 5JVB 5O2J 2EBF 1P4E 2INU 2INV |
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.