(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: POL
File name: alatis_output_compound.sdf
|
Formula: C3H8O1 Compound mass: 60.094699999999996 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.50
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C3H8O1
Fragment probability: 0.50
Fragment mass: 60.094699999999996
Fragment main chain atoms: [3, 2, 1]
Fragment all atoms: [3, 10, 11, 4, 12, 2, 8, 9, 1, 5, 6, 7]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| POL | 4YA9 4D3N 1AL4 5G69 4Y7Y 4YA7 4Y82 4Y77 4Y6Z 2WSB 2XKL 4D3U 4D3T 3DWQ 3CL1 3RT5 5WQF 5G68 4YA2 4Y8I 4Y8Q 6FXJ 4UCF 4YLQ 4Y6A 4Y70 4Y7W 4UGI 5MEK 4Y81 4D3V 6EJX 4Y74 4Y8N 4Y6V 4UZS 4Y75 4D7J 4Y9Z 5MED 4Y8S 4Y8K 4YA5 4Y8O 4Y69 4Y8U 4D3I 4Y80 4Y8T 4Y8P 4YA0 4D3J 4Y78 4Y7X 1OOG 4UG6 4Y8J 6IX6 2WO1 4D3M 4UGF 2Q1P 3MHE 4YA3 5E7W 3P5Z 4UQR 1JSE 5O36 5G67 4D3O 5EJ0 4D7H |
| PDO | 6BUM 6BUQ 6BUO 5EJ0 6CJ6 4QVB 6BUN 4XZ9 6JB0 1MR3 3L8Q 5MED 5SXG 1NAI 2O2I 6BUP 4Y88 4K1W 3FNK 4BCX 4L68 4HON 5JA8 1ZV9 1D07 2YMT 5WSQ 6CWJ 4L1F 1IZ8 5OK0 |
| HP3 | |
| PGQ | |
| PGR | 2XE4 1YIQ 3GDH 3EO7 2V2B 3JQJ 3BXP 4EFS 2PC0 3KPK 3MBU 1HHZ 4H84 3T0P 6I3J 3R0J 5MED 2HB4 3MSW 1UC5 1HQS 1REM 2VBK 3N9W |
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.