(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: B3L
File name: alatis_output_compound.sdf
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Formula: C7H15N1O2 Compound mass: 145.1989000000001 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 |
| B3L | 3F87 3F86 3HET 3HEV 3HEZ 2WEV 3C3H 3C3F 4JJ7 3HEY 6CL1 3HEW 2WFY 3C3G 3HEU 4JJ8 3HEX 3FDM 4JJE 6CKZ 6G8L |
| BIL | 3HF0 3F86 3HEZ 3F87 3C3F 4A1W 3HEW 3HET 3HEU 3C3G |
| B3E | 3HEZ 4DZV 3HEU 3O40 3O42 3F4Z 2OXJ 3C3G 6D3O 3O3Y 6E5J 4A1W 3F50 3O43 3G7A 3HEV 4A1U 3C3F 3HET 3O3Z 2OXK 4BPK 3HEW 4BPI 2YJ1 3HEY 3HEX |
| KBE | 4KIY 4V7M 4KCY 3SFS 4V9L 3J5T 3J5X 4V9P 4KJ8 3KNH 4V9J 3KNL 4KJ4 4V9O 4V7L 3KNN 4KJ2 4KD8 4V9K 4KBT 5V93 4KBV 4V85 4KJ0 4V7D 4KJA 4V7C 4KD0 4KJ6 3KNJ 4KDA |
| XCP | 3HEW 3HF0 5I1O 3C3H 3O43 3F4Z 5AGX 5AGW 4OZC 3FDM 3G7A 3HEY 3HEV 4WPB 3HEU 3HET 3O3Y 4OZB 5CGN 3F50 5VTJ 3O40 4HJD 3O3Z 3HEX 5CGO |
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.