(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HSM
File name: alatis_output_compound.sdf
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Formula: C5H9N3 Compound mass: 111.14470000000004 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 |
| HSM | 2X45 3BU1 1QFT 6FU4 1JQD 1NP1 1U18 1AVN 1QFV 3RXH 2QEB 1KAR 3G7X 4XMF 1IKE 6DYN |
| HSO | 4V8Z 4BYX 4BYR 1KMN 2BKD 5VLC 5YHT 4V8Y 1KAE 4GYF 1H3J 3UMU 2FPU 5EQ8 3ATW 3AVZ 3AW0 |
| HSV | 3ATW 3AVZ 3AW0 |
| HIS_LL | |
| HIS_LSN3 |
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.