(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DMF
File name: alatis_output_compound.sdf
|
Formula: C3H7N1O1 Compound mass: 73.09350000000005 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.60
- Compound probability: 0.80
List of identified carbohydrate fragments:
-
C2H4N1O1
Fragment probability: 0.60
Fragment mass: 87.1002
Fragment main chain atoms: [3, 4, 2]
Fragment all atoms: [3, 12, 5, 4, 2, 9, 10, 11]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| DMF | 6HTT 6GXU 3H6I 5ZA1 6HU2 6HSF 6HU1 6HSH 3H6F 6HU3 5UUD 6HTH 6GXA 3MI0 6GXW 6A7B 3HFA 6HU0 6HRQ 1THN 3V35 6D5O 3RS5 6HTG 6HSG 6HTZ 4BZ6 6OCZ 4CQF 4W94 4J65 6HT8 7EST 6OCW 4BZ9 4P0H 6EST 4HP2 5FUE 2FOC 1APW 3EUZ 4ABI 3RCG 1PPK 1APV 4ABJ 1OC7 4W96 6GX3 |
| NMU | 2PJO 3MSN |
| MMU | 3K3G |
| ARF | 4M8L 4OMX 2OMG 4QT6 3UB8 4WEB 3K4V 4MHL 3NDU 4NX3 2E2L 4NFP 2OMH 3NDT |
| 5Y9 | 5HCL |
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.