(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CS
File name: alatis_output_compound.sdf
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Formula: Cs1 Compound mass: 132.9055 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 |
| CS | 1AV2 4PTV 4C3U 6ARR 4NTY 2QWY 4JF2 6HFB 1UZN 4JFG 4R6Z 1RNY 5D5L 5DDR 1OGP 1I9D 3MGS 4XCA 4QMG 3WS0 4ILA 2BM6 4ENA 1KH8 6DZO 1S3C 2BKN 5CGQ 2WUV 2RIF 3C35 4Q3R 3SKW 3WRX 1SK0 1SK1 2XQ6 5XAK 6ART 4TXG 4E8R 1KJY 3CEP 5HGI 4JTC 5TCG 5TCJ 6H76 1ZOD 4QQ1 4PDL 1UZL 1UZM 5DEA 2HG5 2FG8 5K6U 4NG8 3IJ4 3UMP 6JIS 5A9H 4L9B 1S3D 1I0J 4EEB 4HUL 5ZDK 1C4D 6FVR 3E86 2F9C 3F2X 3VY9 3VZW 6DUC 1JZW 1TTP 6DG3 1J9B 1SD8 1SD9 1SJZ 6UB9 3E83 6DWE 6D0V 2J9X 1GQT 3ATF 5CJZ 4HPX 1ZQF 2X1W 3VZT 1G57 3PR2 1R3L 3VY8 4XCK 5NA9 6OD9 1I0K 3WS1 1SK2 4HPJ 4HN4 6DUA 1S7Z 6C8F 4HT3 1OVN 3NH4 2TPL 1FPM 3DIM 6C73 6HDA 3E8G 2DEV 6GRD 3RV4 4NG1 3E89 2HZ5 2OV4 5L2K 3WS2 1Q6U 2R49 |
| OTT | 5DKP 3MT6 3KTI |
| C4D | 5V8K |
| LYC | 1LGH 6Q53 |
| AZE | 1FEN 2G7B |
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.