(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: TB
File name: alatis_output_compound.sdf
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Formula: Tb1 Compound mass: 158.9253 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 |
| TB | 2RSE 5XBO 6FRM 6HK1 6H6N 1NCZ 5IZR 6QSS 6RQA 2KTR 4IRW 6FRQ 5GGM 6HF6 5MF2 6F2M 5OBB 1M9S 2OJR 2V15 359D 6FRN 6F2K 5X7S 4U47 6HF7 3LTQ 6F2I 4ESQ 6FRO 6F2H 2K61 6F2F 1TJB 6F2J |
| 144 | 3QDE 2IDF 6H5E 1V8F 6GS2 1YAD 3CQ5 5W11 6QII 1OI0 5LA1 6QGT 4ZCH 4JDV 2AI2 2EVE 4L4O 4FQ2 2AI1 1JVL 4ZM0 4FE2 6QGR 4AVZ 2RFM 6NCT 4UWX 5MSX 5WCF 5ZKK 2AI3 6N4T 4BZW 3B6M 5JFF 5NPY |
| CQ4 | 4XXU |
| XZA | 5K86 6M80 |
| PYJ | 3HH6 3GUL 4HM3 5JWV 4W54 1NHB |
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.