(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PXM
File name: alatis_output_compound.sdf
|
Formula: C8H12N2O2 Compound mass: 168.19260000000008 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 |
| PXM | 4HA6 2Z9V 1RFT |
| UEG | 5EB3 4C5L 4C5N |
| PXL | 3MBH 4C5N 1TD2 2Z9W 6SU9 4C5L 2DDW 2Z9X 3FHX |
| GT0 | 4EN4 |
| PMP | 4K2I 3UWC 1FG7 1XQL 2AAT 1UU2 4D9C 2QA3 5LHA 1AIC 5DDU 1SZK 3BWN 4R5Z 2ZC0 1MDO 3E2Z 3CQ5 1UU1 5HXX 3FZ6 3ZRQ 6S4G 3PA9 3FQ8 3NU7 6Q8E 4D9B 5GHG 4RM1 2F8J 4JE5 5I5X 1SZS 1BKG 3GSB 4RLG 6CZY 4RIZ 3PAA 5VWQ 3WX9 1SZU 2QB3 1AIB 4RJ0 2R2N 4E3Q 3FQA 4RKC 3ZZK 5VEQ 2QBT 2ZSM 6GKP 1YIY 5WML 1W7N 3E2Y 4HVK 2EJ0 2FNU 2EPJ 5GHF 4R5F 2HOZ 3PDB 6CBK 3PD6 6EWR 6HBV 5YKT 9AAT 2CJG 5HDM 1AIA 1A0G 3AV7 2C81 2YRI 3BS8 3HT5 4RKD 1AMS 1KTA 5VER 1AMQ 2E7U 1ZC9 1AMR 2QB2 2Q7W 6IO1 6C4P 6G4F 2XBN 2ZSL 2GSA |
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.