(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: IHD
File name: alatis_output_compound.sdf
|
Formula: C16H33I1 Compound mass: 352.33640000000014 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 |
| IHD | 2P71 |
| LFA | 4XTN 6RF4 6SQG 6RF5 4PXK 6SU4 6RFC 6REW 6REX 5W39 6REZ 5MX2 3QDC 5JJJ 6RF6 6RF1 5JJF 5JSI 6RF9 4XTL 6RF3 6SU3 6RFB 3RKO 6RF7 4HYJ 4MND 4XTO 5IJI 3QAP 4XXJ 6RF0 6RFA 1Z4A 5JJN 5O0T 5JJE 4GYC 6EYU 1Q90 5W3C 6H5A 5JRF 5W3B 6EIG 5W17 5W37 5JEF 5W3A |
| UPL | 1LSH 6HJP 6HJN 6H53 |
| TWT | 1GZP 2Z73 4WW3 1GZQ |
| OCT | 3DSK 2XE5 6GAF 3RIF 2J58 6C93 6GAH 1IEY 1IEK 5B2N 5H2N 5H2J 5B6X 6GA5 6EUQ 6GA3 6GA1 3DSJ 5AWZ 1K9Q 2WJQ 4H13 4FQE 4HYX 6JO0 6GA9 5FP2 3RIA 5H2P 6Q4N 1CWQ 6GAD 5AJI 6GA8 5H2M 1Y5M 6GAB 6Q4O 6GAI 5H2O 6Q4P 6GA2 2YNK 5LDV 1KPL 3A7A 5B6V 5B6Y 3DSI 3RHW 5XDN 5B6W 3RI5 5H2K 6GAG 4I35 5H2H 5XDO 4PR7 6GA7 4DX5 6GA4 5H2L 6GAE 4I7Z 5B34 2WJR 1APM 2GSK 4H44 1RE8 5JMN 6GAA 6GA6 6GAC 2EUK 1JBP 2VDF 1XJI 2EVL 2GFC 3HAS 5B6Z 4OGQ 5T6Q 2EUM 1BRR 5H2I 1SX6 2EVD 1JLU 5B35 |
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 Open Babel software package is used in the CTPIC source codes.