(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ARS
File name: alatis_output_compound.sdf
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Formula: As1 Compound mass: 74.9216 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 |
| ARS | 1NLX 1Y0R 3GWT 2IA5 3SMP 2GBM 3SMT 1NQ0 1F0J 3O56 3CFV 3CAR 1NQ2 3FRG 2O6W 3CAO 1WN6 3D3P 3CFS 4J9T 4GNJ 1NQ1 4DMN 6J0E 2J4Z 5D8Q 4GVM 5DAK 3O57 4R0V 2Y0O 4GW6 2JGO 2XQ4 2XQ9 3H6N 6J05 6CX6 3JRN 3QNH 1RO6 2XQ5 4FSD |
| TAS | 1IHU 1II9 6DUN 1SK0 1J9B 1II0 1SJZ |
| AST | 1SIJ 3NVV 6CZ9 3L4P |
| 6OL | 5JWN |
| 8AR | 4F18 4F19 |
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.