(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: RKL
File name: alatis_output_compound.sdf
|
Formula: C38H22N12Ru1 Compound mass: 747.7308 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 |
| RKL | 3QF8 5IU5 3UYB 4LTG 4LTH 5IP8 4LTF 6RNL 5ET2 4YMC 4QIO 3S80 4LTL 3UYA 4LTI 5IWJ 4RE7 3QRN 4LTK 4R8J 4LTJ |
| RKF | 4MS5 |
| RR2 | 4GQJ |
| R1Z | 4E1U 5LFS |
| RLB | 4IZR |
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.