(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: SCP
File name: alatis_output_compound.sdf
|
Formula: C11H16N3O7P1 Compound mass: 333.2338000000001 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 |
| SCP | |
| DCS | 1VFS 4LUT 5FAJ 1EPV 2DAA 3E6E 1I2L 4D9F 3TCM 1NIU 2RJH 1VFT 1D7S 1MDZ |
| PLS | 6AMH 1KFJ 5VM5 2W8W 2TSY 2CLM 5DW0 6DZ4 6CD1 3B1D 2TRS 6AM9 2CLL 1BEU 1KFE 2CLO 2W8J |
| PP3 | 4A00 1L6F 1WC7 6DYT 1C9C |
| PDD | 3DAA 2BMK 1L6G 2ZPU 2ZR8 |
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.