(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DG3
File name: alatis_output_compound.sdf
|
Formula: C10H16N5O12P3 Compound mass: 491.1810999999999 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 |
| DG3 | 5AO1 4EZ6 5AO0 4F4K 3RR8 3TI0 1T7P 1JXL 3RRG 4X0Q 3K5M 3AU6 3BQ1 1QSS 3AUO |
| DGT | 1XJJ 5YHW 2IRY 2M2W 4TNY 4JV1 4LRL 4MZ7 6OIY 4TO2 5AO2 4ZWE 4BZB 2M2U 1HK8 4QFY 3GIJ 5YTF 5CNU 3GIL 4UB4 4QG0 3QEX 5HRK 5HRI 1XJK 4FJL 3QES 3RBE 5HRF 4TO6 4TO3 3F2C 2BQ1 3KHG 3GIK 3B0Y 3S87 3EF5 3T5L 2VP2 2CVX 3QNN 4TO4 2PYJ 2W8L 6BRK 3PKQ 2JEJ 4JUZ 3OTB 4TNX 2UVV 3RB6 6BRH 2R8G 2V4Q 3RB3 2W9A 2C22 3GIM 5CA7 3RBD 5ZLC 5HRL 4QFZ 5CHG 2V4R 1S59 3RAX 3TBA 4FJ7 2W7O 6JOQ 5HRH 5XN2 4FBT 2JEF 4QFX 3T5H 4DTP 3RAQ 4DSJ 5YTD 2VA3 2W8K 4DTU 2E2I 2JEI 5TFI 4FJH 2ATZ 2J6U 9ICH 3B0X 3GII 3AU2 2R8H 5Z3N 3F2D 3K8T 3RB0 6IPN 8ICV 4FYD 3IRH 3G6X 2JEG 6IK9 3KHH 3H4D 3MAQ 2AGP 2XCA 2UVR 1ZJN 2UVW 3F2B 4FK4 5YTH 3RB4 3Q8R 5YTG 9ICT 3S8A 2UVU 3GV8 |
| GH3 | 3AVT 2PI4 4XJ6 4K99 4XJ5 3AVX 3AVW 1N1H |
| 8DG | 4UAZ 6IJY 5GHO 6FL4 5GG6 1WUR 4UBC 6AK8 5GHI 4UB5 5GG7 5GHM 6ILI 4UAW 5FSI 6AK9 5GG8 5MZE 4XA5 3MBY 6IPK 4UBB |
| DGI | 3B6B 1S59 6TZO 4GT1 3EMT 3H2Y 2O08 3ENA |
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.