(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: A43
File name: alatis_output_compound.sdf
|
Formula: C10H15N6O5P1 Compound mass: 330.23650000000004 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.41
List of identified carbohydrate fragments:
-
C5H7N2O2
Fragment probability: 1.00
Fragment mass: 129.1368
Fragment main chain atoms: [7, 21, 6, 5, 1]
Fragment all atoms: [7, 31, 16, 21, 6, 30, 2, 25, 26, 20, 5, 29, 11, 1, 23, 24]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| A43 | 363D |
| 2DA | 6CTV 3RB6 2PYL 3KLF 1MQ2 3THV 1T7P 3KHG 3SUQ 1TK8 1SKR 1R0A 3KLE 3SUO 4K8Z 6CTX 6CTU 3PO4 6CTT 1SL2 3OS1 3SUP 6CTW 3PO5 6CTQ 3SUN 3GIJ 3LWM 6BEM 3LWL 1QSY 3SQ4 6N7W 6BEL 1SL1 3SQ2 6CTR |
| 8AN | 4V5C 2WDK 5MDV 4V5D 5DGE 4V5J 5TGA 5DGV 3CME 5MDY 5AA0 5MDW 2X9R 2WDG 2X9T 5DGF 5MDZ 2WDM 2WDH 3CMA |
| DA | |
| A3A | 1S0T 2LIB 1S75 1S74 |
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.