(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: FMI
File name: alatis_output_compound.sdf
|
Formula: C34Fe1H36N4O5 Compound mass: 636.516999999998 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 |
| FMI | 1S73 1SDQ 1SBM |
| DHE | 1HJ5 1QKS 1N90 1H9Y 1GQ1 1HJ4 1N50 1AOM 1NIR 1GJQ 1E2R 1AOQ 1NNO 1DY7 1N15 1BL9 6RTD 1H9X 1HCM 5GUW 1HJ3 1HZU 1HZV 1AOF |
| HAS | 4G7Q 4G70 3QJT 3S3B 6HWH 3S3D 1EHK 1XME 3QJR 4G7R 3QJV 3EH4 4N4Y 4FAA 3QJQ 4FA7 3S39 4F05 4GP4 3S8G 4G7S 2YEV 4G71 3EH3 3QJS 4G72 3QJU 2QPE 4ESL 3S3A 4GP8 3S38 3S3C 4GP5 5NDC 3S33 3S8F 3BVD 4EV3 2QPD 3EH5 |
| HIF | 1KOK |
| FEC | 1NF4 6FXQ 1NFV 5LOQ 1NF6 6FXJ |
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.