(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 63T
File name: alatis_output_compound.sdf
|
Formula: C5H9O7P1 Compound mass: 212.09420000000006 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.69
List of identified carbohydrate fragments:
-
C5H7O4
Fragment probability: 1.00
Fragment mass: 131.1064
Fragment main chain atoms: [3, 4, 12, 5, 1]
Fragment all atoms: [3, 18, 6, 20, 4, 19, 2, 16, 17, 11, 12, 5, 7, 1, 14, 15]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 63T | 5HQF 5HQQ |
| DN | 5VC8 |
| 3DR | 2L2U 6BOR 1YCT 2KH1 2L2V 1HT4 2KH0 1IXY 4B23 5EW2 2P5O 1M06 4DTS 4DTP 3PO5 6R90 6R94 1YCW 1DE8 4LZ4 4B5F 4B5G 6BLO 3RR8 2M40 3EI2 4IEM 1OE6 1FZL 4B5I 4E5Z 4HSB 2IBT 6BQF 3RRG 1FZS 6BSH 4B3O 6R92 4EJY 1PJJ 4PDG 6R8Z 4DTN 3TWM 2OZM 5EW1 1DE9 4RNO 3A46 1HT7 9MHT 2DTU 1OE4 4DK9 3K5L 4EJZ 1Q9X 4DTJ 4B5H 5JRG 4RNM 4B5J 6BLP 3LWL 1N48 4DTM 3K5M 3G6X 2RBA 2OYQ 1N3A 1FN7 6KBZ 1OE5 1DEW 6BSI 4EW4 2P66 5CLE 1PH5 6R91 5INK 5DFF 6BSJ 1N56 6BM4 1Y6F 4B5M 6BSG 5VI0 6BOV 2IH5 4DTU 4A0K 1P5W 3JY1 3ISC 4A0L 3T3F 4DTX 4NRW 1QUM 4B24 3RR7 5CIY 1M5R 4E9F 4RNN 5DFJ 4LZ1 2NQJ 4B22 1P59 3S6I 3G6V 4E54 2NP6 3ISD 3OSP 4PD2 4PCZ 2P5G 2OFI 1N39 4DTO 2NQ9 1PM5 3G6Y 6BM2 2NP7 5DFH 3JXZ 1PHJ 4DTR 3RRH 4B21 |
| N | 4UER 1EG0 1DV4 3U5B 1QD7 4BYO 4V88 4V8Y 3U5F 4V8Z 4CE4 1Q2S 4BYV 1R16 2I82 1R15 3DZI 1FYK 1G9S 1G9T 1PHW 1Q2R |
| ROB |
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.