(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PD
File name: alatis_output_compound.sdf
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Formula: Pd1 Compound mass: 106.42 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 |
| PD | 2Z5P 5YHB 2Z5Q 2Z5R 4Q9X 3C6S 5YHA 3FI6 3NP2 1KS4 5E2D 6GOI 6GOB 6GOK 3AF7 2ZG8 3AF9 5HQO 3BZ4 |
| HGU | 4DQG 1DJ5 |
| BTL | 6ND3 1WNB |
| PLL | 3NP0 2ZG7 2ZG9 5E2D 3NOZ 3NP2 5YHB 5YHA 5HQO 3AF8 3AF9 2ZG8 3AF7 |
| DMG | 1EL5 5CVD 4E6R 5HIM 1VRQ 1XKP 1X31 3SO5 |
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.