(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: UVP
File name: alatis_output_compound.sdf
|
Formula: C11H16N2O8P1 Compound mass: 335.2265000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.45
List of identified carbohydrate fragments:
-
C6H7N1O3
Fragment probability: 1.00
Fragment mass: 128.10580000000002
Fragment main chain atoms: [8, 6, 21, 10, 9]
Fragment all atoms: [8, 31, 15, 35, 6, 30, 3, 27, 5, 29, 21, 10, 33, 13, 9, 32, 20]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| UVP | 5T7B |
| 6OP | 5JS2 |
| QVR | 5LGQ 5LGS 5LGR 5LGP |
| BMP | 3NQG 3LTY 3VE7 1JJK 4GC4 3QF0 1DQX 3LV5 4FX6 3LTS 4FXR 2ZZ1 3RLU 4FX8 3V1P 4DF1 3NQE 1LOR 4DBE 4MUZ 3QMT 4O11 3SIZ 3BGG 3P5Z 3LV6 4LUJ 4LC8 3QMS 3SJ3 4LW7 3P60 1X1Z 3NQA 3P61 3NQD 4LC6 3NQC 3LTP 3RLV 3M1Z 3NQ7 3NQF 3EWX 3QEZ 3EX4 3NQM 3QMR 2ZZ7 3P5Y |
| ANU | 3FWP 2PGA 1ZL2 1Y1R 3C74 2OEC |
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.