(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: MGP
File name: alatis_output_compound.sdf
|
Formula: C11H19N5O14P3 Compound mass: 538.2142999999988 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.30
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [7, 6, 4, 28, 10]
Fragment all atoms: [7, 42, 18, 48, 6, 41, 17, 47, 4, 40, 2, 37, 38, 27, 28, 10, 43, 16]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| GTG | 5ABU 6QCT 1N52 3EMB 4J7N 3QX8 2P40 3HXI 5YNN 5YNI 6QCS 1ST0 1MWH 6PW3 1RI2 5YNJ 1RI1 6OGY 5TEF 5YNQ |
| MGP | 6GKJ 1IPC 3CTR 3QJI 6O80 5BXV 6FC1 2WMC 3GDH 1L8B 4EMR 5T46 5ZJY 5ZK9 6EVK 5T48 5TFB 4TPW 3AM7 6FBZ 5ABX |
| 6G0 | 5J5O |
| G1G | 2P41 |
| G5J | 6DCC |
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.