(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: KZG
File name: alatis_output_compound.sdf
|
Formula: C14H14I1N3O4S1 Compound mass: 447.24760000000003 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 |
| KZG | 6NQO |
| GYC | 2Z6Z 6MXW 6MYC 2Z6X 3ZUL 3ZUF 3LS3 2IE2 6MYB 2IOV 2Z6Y 2POX 6D39 6NQJ 6D38 4EMQ 3LSA 3ZUJ 2GX0 2Z1O 4UTS |
| KZY | 6NQV |
| KZV | 6NQK |
| KZ4 | 6NQN |
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.