(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 04P
File name: alatis_output_compound.sdf
|
Formula: C7H15N3O1 Compound mass: 157.21290000000008 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 |
| 04P | |
| 01M | |
| OAR | 1A2C 4BP9 3U1I 2FP7 1BCR |
| AR7 | 2FO5 1CVW 2NQA 1POP 1DX5 6BKJ 3BPM 2PSX 1JRS 2F9P 6RFK 1P8J 2P0R 5JMO 1TL9 5MS4 1JRT 2F9N 1DE7 1FPH 2PSY 2PUQ 2AGI 1Z8G 2WUC |
| MRZ | 4X1N 4ZJ5 4X1S 5MNO 5MNN 4UE7 5F8X 4X0W 4ZHM 5F8T 5F8Z 6A8O 5MNP 4X1P 4ZJ4 4ZJ6 |
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.