(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: RRO
File name: alatis_output_compound.sdf
|
Formula: Br1C5H3N2O4 Compound mass: 234.99220000000003 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 |
| RRO | 3W1M |
| ORO | 3C61 2FPY 1JQV 1JRB 1F76 4RK8 4ZMG 2B4G 5FI8 2E6A 6I55 3I68 3I6R 2FQI 6AJ5 1OPR 1LH0 5K9D 1D3G 4JS3 4JTU 6I4B 4RYH 4LS2 1OVD 4RX0 3GZ3 3I65 6AJE 5ZFA 1UUO 4CQ8 6CJG 3ZWT 5H2Z 2WV8 4ZL1 1UUM 6CJF 4LS1 5ZF7 4OQV 6EBS 3G0U 1TV5 5MUT 5MVC 4YLW 2B0M 6QU7 1JQX 2DOR 4IGH 3O8A 5MVD 5BOO 6E0B 5HIN 6FMD 5ZF8 4CQ9 4RR4 2PS1 1EP2 4RKA 2PRM 2FPV 3SFK 3ZWS 6J3C 2PRL 6IDJ 2PRH 6OC1 6J3B 3FJ6 4JTS 2FPT 5ZFB 3G0X 1D3H 5HQE 2BXV 3F1Q 4CQA 3U2O 4ORI 4LS0 1JRC 1J79 4JTT 5ZF9 4C6Q 6OC0 6SYP 5UE9 5H73 5DEL 3W7R 5TBO 5K9C 4RLI 6GJG 5ZF4 4JGD 3FJL 4NN3 4ORM |
| IJZ | 3MJY |
| HRO | 3W1L |
| FOT | 3W1A 4C6M 2E25 2EG8 6HG2 4C6L |
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.