(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 8CP
File name: alatis_output_compound.sdf
|
Formula: C9H17N4O12P3 Compound mass: 466.17159999999996 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.32
List of identified carbohydrate fragments:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [3, 5, 6, 24, 8]
Fragment all atoms: [3, 31, 32, 5, 35, 14, 41, 6, 36, 4, 33, 34, 23, 24, 8, 37, 13]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 8CP | 5UGN 5UGP |
| 0KX | 6BRX 4U7C 4TUS 5KT2 4NLK 6P1P 4YMN 4O3N 4Q8E 5L1L 4PHD 4DL2 4RU9 4DL3 6CU9 5F9N 4MFC 4O5K 4IRC 4PHA 5KT4 4NY8 6P1V 4Q43 5W2A 5KT7 4Z6C 5L1K 6MXO 5KT6 4O3R 4O3P 4DL4 6MQ8 5KT5 4TUR 4YMO 4TUQ 4O3S 6CPQ 5KT3 5EOZ 4DL5 |
| LTP | 4QWC |
| YYY | 2J4H 4UOG 3EVM 4QWB |
| 1S0 | 4K4G 5U2R |
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.