(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DPQ
File name: alatis_output_compound.sdf
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Formula: C9H11N1O4 Compound mass: 197.18750000000009 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.00
- Compound probability: 0.00
List of identified carbohydrate fragments:
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| DPQ | 2YX9 |
| TPQ | 2OQE 3HIG 2CFD 1UI8 3ALA 1IU7 1RKY 2CFW 3HII 3WA3 1A2V 2CFK 3N9H 1W2Z 1QAL 1IQX 1W7C 1IVW 1WMO 1QAF 2OOV 1W6G 4BTY 1TU5 2BT3 1US1 2WOF 3WA2 2WOH 1PU4 2Y73 3HI7 2CG0 2PNC 3X42 2C10 1IVX 2CG1 1OAC 2W0Q 4BTX 1N9E 3PGB 2CWT 1QAK 1W6C 1JRQ 2CFL 2WO0 1DYU 3LOY 2CFG 1RJO 1KSI 1AV4 1WMN 4BTW 1AVL 1IQY 3K5T |
| TYY | 4KFD 4KFF 4KFE 1D6Z |
| EMJ | 3UT3 |
| ESB | 2ZL8 |
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.