(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HE2
File name: alatis_output_compound.sdf
|
Formula: C6H14O1 Compound mass: 102.17420000000008 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 |
| HE2 | 4DNO 4C6H 3WL4 1ZNE |
| HEZ | 1IBY 4M5C 5XZT 5COR 3E4W 4XI1 4HYO 4XM1 4XLZ 5SUR 1NHZ 4M5B 6QP4 3OJC 2WIW 3WL4 5NO1 3H01 3EV1 1M8T 5Y02 4EGW 4W4Z 3L8Q 4HXG 4HZ3 3K2R 5YA1 4H6C 1X1V 3K4F 6DR4 4R4L 3MIU 3MIT 3EDC 3WXK 2HY6 3OX6 5XPF 4HXF 3WFX 4HXE 4Q4W 1WXW 3NMD 5JR2 3CDO 4J67 6D7K 5EZ9 5MMA 3G36 2VYP 3OYM 3Q20 4RV7 4H6B 6NES 2NY0 6TZK 6A18 5JGZ 3TFO 1JMT 5JFY 1IN4 4WZ1 6AY1 3MCR 5YA0 4Q4X 4Q4Y 4E7H 5YA2 1U3C 5JGV 5B2E 4WZ2 2NXY 5VL9 2NXZ 5MMB 6A34 5MED 4WRC 2NY2 3WE7 3PUT 1QUD 3ALP 6GB1 4NKG 2IOR 3S3O 3S3M 5U5C 4E7I 1P2V 3RS4 3TGM 3R6S 5KGR 6FTO 4IKF 3G2S 4WRE 1QUH 4N7Q 2NY4 5TPY 4HLR 3QQ7 3KWE 4NAG 5JGR 4TQ2 4WRF 6QDJ 1J7K |
| 7FB | 5TNL 4DNO |
| ODI | 2DM5 |
| 5HD | 3DWB |
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.