(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: CH
File name: alatis_output_compound.sdf
|
Formula: C9H15N3O8P1 Compound mass: 324.2039000000001 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.48
List of identified carbohydrate fragments:
-
C5H8N1O4
Fragment probability: 1.00
Fragment mass: 146.121
Fragment main chain atoms: [7, 6, 4, 20, 8]
Fragment all atoms: [7, 28, 14, 34, 6, 27, 13, 33, 4, 26, 3, 24, 25, 19, 20, 8, 29, 12]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 0C | 2GQ6 4R8I 1R3O 2G32 2GQ5 2GPM 2GQ7 2GQ4 4WB3 4WB2 |
| C25 | |
| LC | |
| C5P | 1IV4 1ME0 5EBE 4GTZ 2H92 1ME1 2YYU 3F0G 1RNN 1LP6 4DXL 5KM2 4JEM 3DJX 2XCU 5IWY 1H48 1W57 3F0F 2EX1 6OH2 5H5K 6I1R 1RO8 5FA1 4C8E 5X4K 6APL 5DV2 6OH4 1QF9 4O6M 1H47 2VFL 5ZRH 1GQC 3UKD 4EMD 4C8G 1XRJ 2II6 4DW3 3ASZ 2GN2 5B8F 4G0Q 5B6D 4HIU 1UJ2 2UKD 2IX0 6CKL 4BES 1U80 4DIE 2Z4T 4FWR 2XWM 6MGB 6MGC 3AKE 1KNJ 2ILV 3ELB 2ZWI 4ZCP 4ZU0 4LMC 2IIB 4HI5 1RNM 3LUG 1W77 5A0V 3F1J 4BER 2PMP 1H7T 3W8N 4O7Y 2IIQ 4K6Q 5UKD 4XSV 1JY8 4O86 2WNB 1H7F |
| CAR | 6D0Z 6Q02 1HO6 1KDR 170D 2KP3 1NH3 3ERN 6D0M 6PZ3 3MDA |
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.