(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: GLV
File name: alatis_output_compound.sdf
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Formula: C2H2O3 Compound mass: 74.03540000000001 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 |
| GLV | 1YQC 4LH0 1D8C 3U88 1N8W 1F8I 5XR3 6C4C 2HUI 2RDU 3PUG 4L9Y 2NZL 6G1O 5H8U 4PXE 1N8I 4FJU 5E9G 1NXJ 3OYX 2ETE 2HCJ 2BKW 5AOV 5TAO 5ECX 5CC5 2ET1 |
| OXD | 4Z0P 4WJ8 5V0T 4R2K 4UZI 4IUW 4YWB 5IE3 5TSD 4INF 6IPD 1O4N 1YTM |
| OXL | 4OKN 1A5U 3SRD 4IRE 2EB5 1GQ2 6ITO 3BJT 3HQ9 6KKH 1A49 5WSB 2IU7 5N2C 6NU1 4OEV 3HQO 5N4A 4JN6 4GNM 5NPB 1DWK 1PZF 1DO8 1NVM 3B8I 4LAD 3MOF 4L80 3U8G 4L9Z 4KS0 5WS8 6FOG 6ECH 5WS9 1GZ3 3FLK 5WSA 3K4Z 3DT4 1T5A 3BJF 3HQP 3ZPG 4RJD 5V7G 1RYO 1AYL 3CV2 3FRL 2HWG 4FXF 1PZH 2VJO 4KCW 4DBH 4G1N 5D1K 5HI0 1T2D 2X75 6N2C 5WSC 4GMU 1PT8 5FH3 4B9Y 1O4T 1BKA 4MFD 4NNC 6B6U 4GNQ 5EZB 4B9Z 1PYM 4WIU 6NUB 2DUA 5NPC 5NPD 4ROT 2RK7 3M0K 2OWS 1SOW 1LCF 5NPE 6NU5 1B7Z 3DT2 5D1L 5V9G 5D1M |
| GOA | 3NYG 5EBW 3L24 2HG5 6QKU 5DA5 6QI0 5VZH 6GMB 6QKW 5TYF 4UZI 5VZE 5K3E 1RYI 4AIS 3W93 1QKI 2H8P 4PC8 2O99 3R3Z 4ZWU 5TWS 6QHW 3IF9 5AG0 5TYZ 6QI2 5TYG 6NFP 6N2C 6N63 5VFB 4ZWO 2HFE 6QI3 4UFV 6QKT |
| CM |
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.