(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PEP
File name: alatis_output_compound.sdf
|
Formula: C3H5O6P1 Compound mass: 168.04180000000002 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.95
- Compound probability: 0.60
List of identified carbohydrate fragments:
-
C3H3O3
Fragment probability: 0.95
Fragment mass: 87.054
Fragment main chain atoms: [1, 2, 9]
Fragment all atoms: [1, 11, 12, 2, 3, 4, 5, 13, 9]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| PEP | 4EGR 1OAB 4HSN 2A2I 4WPU 2A21 1FWT 5JVL 1OF8 2NX1 1LRO 2NXH 2NX3 5D05 2QZY 1RZM 4I7E 1HFB 1JCY 1N8F 5D03 4I4I 1VBH 3E0I 5HUC 2ONE 1T96 4Z17 3UJE 6NN4 4HSO 1FWW 3NV8 1P48 2NXI 1FWN 4GNL 1FWS 6BMC 2R46 5CZS 1QR7 3UJR 1KFL 1ZHA 5DCB 2O0E 5D09 1LRQ 2XZ7 4Z1D 2AL2 1FXQ 2EF9 2NWS 2B7O 6BWH 3UCD 2XH0 5CZ0 4OWG 1NHX 5D02 1ZCO 4C1K 6BFZ 2NXG 5JVJ 3TFC 2NWR 1G7U 3UJF 5UXN 4WPT 1VS1 3FYP 1OFA 2XGZ 5JVN 4UCG 1XUZ 1Q3N 2OX3 4GMW 2GMV 4HYV 5BOE 4GNP 2AL1 3UND 1ONE 5HUE 1T8X 5J04 1KHF 3QPW 5UXM 2PTY 2DWO 3FYO 5UXO |
| 2PL | |
| PGA | 5I3I 2VEL 2V2C 1AW1 5I3K 1S89 1G5L 1S8A 1ML1 5WN2 1G5K 2V2H 5Y2W 1A3X 2BKV 5I3H 1TTI 6PFK 2RKA 1SW7 1OFO 5GZP 2VGF 2VXN 2VGI 2VGG 5V9H 1LZO 1EGH 3DTB 1AMK 2VGB 2BTM 1GJ2 1A3W 1SU5 2J27 3MOH 1TE2 5GV4 1GG1 4BI7 1PDZ 5EYW 1SW0 1N0O 1QDS 2YC6 6BVE 1KV5 1LYX 1N55 1SSG 4OG8 2YPI 3PVF 1BTM 5FH5 6MGI 4FF7 1SW3 1GJ1 1HTI 1N0K 4BI6 2YC7 6ENL |
| 0V5 | 5WI5 6NKJ 4UMB 6CN1 3UJS 5U4H |
| PEQ | 1AQF 4UMC 3FJ7 |
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.