(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: DPR
File name: alatis_output_compound.sdf
|
Formula: C5H9N1O2 Compound mass: 115.13010000000004 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 |
| 3WX | |
| PRO_LEO2 | |
| PRO_LFOH | |
| PRO_LFZW | |
| DPR | 2N1E 3BOG 1JY6 6BEN 5E5T 2M7I 6BEO 5HHD 5KX0 1H0G 5KWX 5I1N 1ICO 3AI6 4GLS 3MGN 6BF5 6E5I 6BE7 4GLU 6BET 2KQL 2JUE 1ICL 6BEU 1JY4 4OIJ 6BER 6D2U 5KWP 6DZC 1XOF 2R5D 6E5H 5J1O 5KVN 5JBY 4KA2 4K0A 5GOB 5JBV 6BEQ 4R4N 5KX2 1IC9 4JZZ 1SN9 1BFW 3IWY 2M7J 3L37 2KX5 6QEV 1W9U 5I1P 6QFK 4TTO 4OIK 5GOC 5GOG 6BF3 6E5J 5GO8 6BE9 2AXI 6DZE 4LAJ 5E5Y 6BES 5GOK 6DZA 6DZ9 5W4L 1MCS 5GO7 4TTK 5J0M 5MBW 5XDP 5J2W 4TTM 5UZZ 5N99 2NBL 3WNG 2KDQ 3L35 2N6H 6E5K 6O4M 2N4N 4PK0 4TTN 4RFN 4PJZ 1SNA 6DZB 2R3C 1MCE 1JY9 2I5Y 1ZEA 5X3M 1MCB 2EJ6 3UE7 5I1O 2Q33 1MCI 5GOI 5I5A 5I1S 4KGT 5X3O 3OE0 2I60 5GOD 5GOJ 5XPK 6KZF 1MCQ 5I5B 4CXL 1MCK 4JZW 5J8P 1MCF 1SNE 5GOH 3TRY 3FHV 4RFO 6MFP 1MCJ 5N8W 3TRV 2R5B 5EFJ 3GO0 3L36 1MCC 1MCR 1WAW 5MCQ 5UWE 5KJR 1MCD 4R4F 6MG7 1T8J 3TJW |
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.