(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: IUM
File name: alatis_output_compound.sdf
|
Formula: O2U1 Compound mass: 270.0277 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 |
| IUM | 1B40 2GIC 1B4Z 1QKA 3PU1 1B1H 3PTX 1CT9 3PU0 1OLA 3PTO 1B58 1B46 1QKB 4ILD 1B3F 3PU4 1B3G 1JEV 6BJY 1OLC 2RKM 1B9J 1NCJ 1T9H 1B52 1JET 1B51 2OLB 3L0O 1BZO 5VCR 1ANV 1B32 1JEU 4FZP 2VEO 1FE4 1EFQ 1B3L 1NCI 3MKO 3DGC 1AUQ |
| U1 | 1B5H 1B6H 1B0H 1B5J 1B3H 3DGC 1B4H 1B5I 1B05 1B2H 1UYJ 1B7H |
| HFB | 3DMZ |
| F5B | 3DN0 |
| FPN | 1XVD 3LB4 |
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.