(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 2OP
File name: alatis_output_compound.sdf
|
Formula: C3H6O3 Compound mass: 90.07770000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C3H6O3
Fragment probability: 1.00
Fragment mass: 90.07770000000001
Fragment main chain atoms: [3, 2, 1]
Fragment all atoms: [3, 5, 6, 12, 2, 10, 4, 11, 1, 7, 8, 9]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 2OP | 1W9N 6ECF 1VQ7 6ECE 5GZY 4PLV 2W11 6ECD 4RLS 2VK8 2VOJ 4NMC 4NMB 5ZZY 4QO7 4O8A 5IHD 4F9I 4FGX 6HCL 1VQ4 4DV9 4XQY 3I55 4ND3 2WNZ 1VQ5 |
| LAC | 1TJ0 2ZZX 3KB6 1K87 6BB1 2FLT 1UHD 6AID 5XR2 2WNZ 1P11 1QH9 6MV8 4N3G 2Y4J 2ZZW 5I8T 6BB2 2NLI 1C0R 6BAZ 4M49 2IMP 5WBF 6BB0 1C0Q 1C0K 2ZZV 2FN7 1W3Q 1TJ1 4QO8 4JNK 4N3N 2P1E 1P12 |
| DLA | |
| PVO | 5LS7 6OVI |
| 8A1 | 5UI9 |
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.