(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: PIA
File name: alatis_output_compound.sdf
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Formula: C14H15N3O4 Compound mass: 289.28600000000006 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 |
| AYG | 2OTE 2OTB 2HQK |
| PIA | 5DU0 6GRM 2JAD 6GO8 1H6R 6AS9 2HQK 4Q9W 5O8A 5DTZ 5HBD 2OTB 6FP7 5HGE 4Q9X 5O8B 5DTY 4R6D 2OTE 6FP8 5O8C 5HW9 5DTX 6GQH 6GO9 5O89 6GQG |
| GYS | 6B7R 3LVA 5HZU 3LVD 6FLL 5HZS 1HCJ 2ZO6 2GX2 5HZO 1W7U 2WUR 2DUI 6JGH 5HZT 2HPW 1W7T 2AHA 1W7S 3K1K 6B7T 1EMM 3P28 6OFO 4P1Q 4ORN 6ITC 1EMC 3G9A 1KP5 1EME 2AH8 6JGJ 3LVC 1EML 2ZO7 5J3N |
| CSY | 1W7U 1W7S 1HCJ 4P1Q 3P28 1KP5 1EMC 1EML 2AHA 2AH8 1W7T 2WUR 2HPW 1EMM 1EME |
| OHD | 6PFT 6PFS 6PFR 6PFU |
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.