(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 6AC
File name: alatis_output_compound.sdf
|
Formula: C3H3N1 Compound mass: 53.0625 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.25
- Compound probability: 0.75
List of identified carbohydrate fragments:
-
C3H3
Fragment probability: 0.25
Fragment mass: 53.0625
Fragment main chain atoms: [1, 2, 3]
Fragment all atoms: [1, 5, 6, 2, 7, 3]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 6AC | 4LJJ |
| CCN | 2PGF 1BE6 4C01 5N5P 1BFK 3SBN 4YU6 2WUV 1CNM 5NGN 1AMT 6GGI 1V03 2PGR 3LYO 1SCB 1FJU 6QEY 1F8Q 2FOV 1M24 2WUW 4END 2LYO 3IIQ 2PYC 5TPG 4EIX 2PMJ 2OTH 4BZZ |
| MEB | 4DD3 4MWK 4OXE 3TXE 4OWB 4MWM 4DD1 |
| CNV | 4BC9 5NYC |
| TAN | 3X25 3A8M 3A8G 3WVE 3X24 3X20 3WVD 3X26 |
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.