(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PER
File name: alatis_output_compound.sdf
|
Formula: O2 Compound mass: 31.9988 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 |
| PEO | 5K2J 3T52 3LM4 1H5F 6G1B 1AO4 5ZWW 1G5L 5DJQ 5YTN 1H5G 2B2Q 1H57 1GGF 2NLI 1MWV 2VLZ 3I63 4C7Z 5NUE 4EV3 3QVD 4EV2 3K9S 4KFE 2VLX 5NUF 2B2O 3PZA 4KFD 1H5J 4KVJ 4GRC 1H5H 6G4R 6L9E 1D6Z 1H5K 2VM0 1MTG 6GSG 2J5M 3N3B 4EV5 4E4Z 6L2J 1AO2 3HDL 1MXK 5HYG 6M9A 1NG4 4X6G 1H5M 2GVC 6S0O 4C80 3MK7 1H5I 1GJ2 2VLY 4FA7 6KY7 6L2V 1ASP 1H5L 1OTW 4USC 3F7K 1Y1H 4N4Y 4C7Y 3MPS 3HB3 4FAA 3T9W 6KMK |
| PER | 1YQW 3TKS 5LM8 3WG7 5LG8 4GP8 3T6X 5NQ9 6R9N 5XDQ 2JI3 3A2V 6FC7 5B1A 5Z0L 5LG2 5Z0I 4ZTT 3A2W 3MVZ 5Z0F 5NQ8 5TKH 3CUR 4A67 4G70 2ZXW 1YQ9 3S8G 4EIS 1W8E 2VLZ 1WX2 4WX0 5IY5 6NMP 3S8F 2XVY 5Z0J 2XVZ 6JY3 4GP4 5Z0G 3ABL 4G7Q 5LXI 5TDV 5VG0 3MVY 4G7R 4GP5 4A66 4D50 6J8M 1WX4 2QT6 4G72 2XYB 1C0P 3ABM 5VG1 4G7S 1NOL 2Z6T 2OCC 5Z0E 4A68 5Z0K 2ITB 3EHB 5Z0H 5LWX 5OR3 5TDT 2VLX 5NQ7 4G71 |
| TS6 | 4YXW 3HL2 4LVL 6PC3 |
| F50 | 2IUF 5WKC 5H3H 5WJ1 |
| PIS | 4LD7 4E0U 4EE7 1TUU 5HC8 |
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.