(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HBA
File name: alatis_output_compound.sdf
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Formula: C7H6O2 Compound mass: 122.12110000000003 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 |
| HBA | 5E4M 3ATZ 1EB9 5K1K 5V4P 4JIP 1Z42 2VQ5 3ZOE 1K03 3HGJ 5DY3 1OYB 4RNV 2GQ9 4TMC 3ZOC 4JQN |
| NK | 4JZ6 2PIR |
| 7WO | 5U16 |
| AC6 | 2GQ8 5CQ8 5PHN 2O48 5PB8 |
| PHB | 4OD5 3R3A 2BUW 2PHH 5W1E 3ZYB 1D7L 4LKF 5M21 1TT8 1BKW 3PCC 3HGS 1CC6 1CJ2 4LKD 2BUR 1IUX 1K0I 1BGJ 4EVQ 1PXC 4LKE 1DOB 1BGN 1PXB 4F06 1CJ3 1IUV 1G1B 1CJ4 1Q4S 5IGA 3TYB 3HGR 5I5P 3R36 4EVS 1PXA 4EY3 6AL9 1CC4 1DOC 5D2A 1YKJ 1PDH 1IUW 1G81 1BF3 4E3G 1JD3 1PBE 1FW9 3T0N |
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.