(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: AZ8
File name: alatis_output_compound.sdf
|
Formula: C5H3N5O2 Compound mass: 165.10950000000003 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 |
| AZ8 | 5JE0 5UFM |
| AZ9 | 5JE5 |
| XAN | 1YR3 3EUB 1A96 2W3S 5GRK 6OHA 5H9I 3L8W 5I6C 3GAO 2UZ9 3ODG |
| AZA | 4XFP 3CKU 2IBA 5Z2B 2YZD 2ZKA 5YJA 3PKG 1VAY 1J2G 3PKT 2IC0 5Z27 5Z29 5Z2A 5YJ2 3PK8 3PLM 5UTJ 2FUB 3P9F 3WLV 3PLI 3PK6 3PJK 3CKS 3BK8 3F2M 3PK5 3PKU 5Y52 5Y2P 2ZKB 3PK3 2ICQ 4OP9 3PLH 2H0F 3PK4 4N3M 3PLJ 4OP6 3PKL 1R51 4N9V 3PLE 3PKK 3PKF 5FRC 3PKH 3PKS 2PES 3PLG 3GKO |
| URC | 2YZB 6AD4 4YSW 4YTZ 4YTY 3AMZ 4YRW 6AC1 3AN1 3L9G 6ABU 6AJU 3BJP 4D17 4PR8 6A7X 3OBP 4D19 2E3T 1L5S 4D12 3RP7 |
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
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- The NetwrokX library is used in the CTPIC source codes.
- The Open Babel software package is used in the CTPIC source codes.