(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: KDF
File name: alatis_output_compound.sdf
|
Formula: C6H10O6 Compound mass: 178.13960000000006 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C6H10O6
Fragment probability: 1.00
Fragment mass: 161.13230000000004
Fragment main chain atoms: [6, 12, 4, 3, 1]
Fragment all atoms: [6, 5, 9, 10, 21, 11, 22, 12, 4, 18, 2, 15, 16, 7, 19, 3, 17, 8, 20, 1, 13, 14]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| KDF | 2VAR |
| GC4 | 1C4S 1I8Q 1DBO 2WCO |
| BDP | 1ON8 3A0N 4NDZ 2JCR 2KQO 5E9B 1LOH 1N7R 2BVK 2WDX 1N7Q 5T0A 3H7D 5E97 1OFM 3UAN 4MRD 4X04 3C9E 4XFE 6E0W 6I01 4N8W 5T03 1LXK 3HYA 3VNZ 5T05 5MUL 6SYV 6EUF 5IK5 6D3U 1LXM 4X8R 3UUG 3KL3 5IK8 4FMS 5UAS 4C4M 4OVQ 4P1L 4QB2 1GQK 6SZ4 1HM3 5Z1B 1HUA 1GQL 6BJQ 4N15 4P3L 4MHF 1HMW 5E98 1CAP 3IM0 4N91 |
| ADA | 2O0V 2NTP 1GXO 2O17 4YZ0 3B8Y 2NTQ 4N8Y 2NT6 2NZM 3ZSC 4Z03 2EWE 2O04 4MIJ 4YZX 6OJL 4YZQ 2NSP 2UVH 5AMV 3VMW 2NTB 3KRG 2NST 2Z8S 5OLR 2V8K 5XQO 2NT9 4YZA 4PR7 5OLS 2UVJ 6NCX 6OJK 4EW9 4Z06 2O1D 6HZG |
| X1X | 4YZA 4YZ0 4NX1 |
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.