(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: LYS_LFOH
File name: alatis_output_compound.sdf
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Formula: C6H15N2O2 Compound mass: 147.19490000000008 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 |
| DLY | 2KI4 6BET 3TJW 4GLS 6Q79 5KX0 5E5T 6BE9 5I1P 2KQL 5GO7 4OIJ 5HHC 6Q6X 5CGO 2KI6 6Q86 2Q33 3MGN 5GOH 5E5Y 2ATS 1C4B 4GLU 4GLN 5I1O 6Q77 6Q85 6KZF 5NES 5JBY 5I1S 5I5A 5XDP 5LRK 6Q8G 5CGN 2M7I 6Q8D 3C1P 3TRY 5GOI 4OIK 5X3M 6BES 5X3O 5NEY 5I1N 5GOJ 5GO8 1YWH 3BOG 6Q8H 5NF0 6Q87 3TRV 2R5D 6Q6W 1RCQ 6A2F 6O4M 5GOK 3LNJ 2R3C 5LRJ 5ZMS 5ZMQ 5GOD 5GOG 5J8P 5HHD 5JBV 6CNU 5GOC 3TPX 5MCQ 5LRG 5XPK 3L37 5GOB 3RIT 3L35 5I5B 4NZ6 4TTK 5N8W 2R5B 6S5R 5I6A 5XGX 5N8T 3L36 1KO0 3KO7 |
| LYS_LFOH_DHZ3 | |
| LYS_LFOH | |
| LYS_LEO2H | |
| LYS_LEO2_DHZ3 |
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.