(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CR
File name: alatis_output_compound.sdf
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Formula: Cr1 Compound mass: 51.9961 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 |
| CR | 6NDC 1HUO 1LM2 1HUZ 1ZQE 9ICC 1SM8 4R15 1J3F |
| XL3 | 3RZL 3S57 3RZK 3S5A 3RZH 3RZM 3BTY 3RZJ 3RZG 3BUC |
| CQ4 | 4XXU |
| PDT | 1HFE 1E08 1GX7 |
| MPR | 1ETN 1XY2 3D1L 1ETL 1ETM |
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.