(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CSA
File name: alatis_output_compound.sdf
|
Formula: C6H11N1O3S1 Compound mass: 177.22100000000006 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 |
| CSA | 3NPF 4R0K 1DWQ 5V0R |
| YCM | 6C1R 5LE5 3BCP 5V3P 4ZKX 4IXK 6HLO 3EYU 3NYG 4KVV 3NXN 3IAW 4ZRH 1N1X 3FL1 5LEX 5WB2 5C1M 6E20 5MJ3 4ZKW 5T1A 3NWX 3NXE 5TCX 6UHD 3FL0 4N4C 6D27 3IA9 3FKZ 2R0Z 1PX5 4ZMC 1TQ9 4ITT 5V3B 4ZL5 4ISP 4ISM 4ZKH 5LF7 5OCH 4IWK 6D26 4ITW 6FJ3 4IWJ 2O40 5LF4 4ZL6 3I2L 6HLP 6MXT 5ZKF 3HLO 5LF1 2A8Q 2R0W 5LF0 2A8R 5LEZ 4QDT 4OO9 3FSM 6FFH 1L0Q 1TJH 3FL3 5LF3 6ME4 3GI0 4ZS5 3NWQ 4ZLW 5LEY 4OE8 6ME2 5LF6 5DOD 5ZKE 2YAX 3HZC 6PS8 3DCK 1TJI 2A8P 6FFI 6CSY 2A8S 3EYS 1TJG 3KA2 6ME5 3DCR 3JWD 3ESW 1N3Z 6C1Q 6ME3 |
| 85F | 5XEM |
| CAY | |
| CCS | 5O45 3RUL 3PQZ 1GTI 4EYZ 2JFA 1DSS 2JX4 1STF 5O4Y 3VFJ 1L2I 4W9N 3RUN 3VFK 1ERR 3DMT 3RUM 4PK0 2BJ4 6E5Z |
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.