(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MR8
File name: alatis_output_compound.sdf
|
Formula: C52H81N1O13 Compound mass: 928.1951999999964 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 |
| MR8 | 4DH0 |
| RAP | 2VCD 4DRJ 1Z58 1FAP 4DRH 5HKG 2DG9 2DG3 1C9H 2DG4 1FKL 5GPG 5FLC 3KZ7 4QT2 4DRI 4QT3 1PBK 1FKB |
| RAD | 1NSG 2FAP |
| 818 | 1FKD |
| FK5 | 4NNR 1BKF 5HW8 6MKE 4ODO 3UF8 6TZ6 3IHZ 6TZ7 5B8I 4DZ3 4ODR 2VN1 4DZ2 1FKJ 3UQB 5D75 1Q6I 5HWC 3VAW 2FKE 6TZ8 4LAX 6J2M 3O5R 5HUA 3UQA 1YAT 1TCO 1FKF |
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.