(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ICH
File name: alatis_output_compound.sdf
|
Formula: C1FE7H1S6SE3 Compound mass: 596.3235999999999 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 |
| ICH | 5BVH |
| ICG | 5BVG |
| ICS | 6O7S 3U7Q 4WZA 5VQ3 4WZB 5CX1 6OP2 6BBL 6OP1 4TKU 4WNA 6OP3 6OP4 4WN9 5VQ4 6CDK 6O7P 6O7R 4ND8 4WES 6O7M 4XPI 5VPW 6O7Q 6O7L 5BVH 6O7O 5KOH 5IJY 6O7N 5KOJ |
| ICE | 4TKV |
| FS4 |
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.