(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 522
File name: alatis_output_compound.sdf
|
Formula: C34Fe1H34N4O6 Compound mass: 650.5005999999981 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.38
- Compound probability: 0.04
List of identified carbohydrate fragments:
-
C2H3
Fragment probability: 0.38
Fragment mass: 39.0558
Fragment main chain atoms: [1, 7]
Fragment all atoms: [1, 45, 46, 7, 62]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 522 | 5CJH |
| HEO | 1FFT |
| HEB | 2KSC 4J20 4L36 6A6Q 4MAX 5DOQ 3WNU 4Y7S 1QQ3 4I0V 4L2M 6RKO 5IR6 2ACZ 4PAE 6RX4 3X16 |
| HEA | 5XTH 2EIJ 3X2Q 5XTI 3OM3 6NMP 3AG3 3OMI 5IY5 3OMN 6ADQ 6CI0 5X19 2EIM 2DYR 5J4Z 3AG4 3ABK 3FYE 3AG2 5J7Y 3FYI 3DTU 6GIQ 2Y69 1OCZ 3ASN 1V54 6JY4 2EIL 2GSM 1M56 3AG1 6PW0 5XDQ 1OCO 5WAU 2DYS 5ZCO 5B1B 3WG7 3HB3 1M57 1OCR 6J8M 3ASO 3OMA 3ABM 6JY3 2ZXW 1OCC 5B1A 2YBB 6HU9 5ZCP 5W97 5WEH 2EIK 5GUP 3ABL 5B3S 5Z86 1QLE 5Z85 1V55 5XDX 6NMF 2EIN 5X1F 5GPN 2OCC 5ZCQ 5Z84 5X1B 6PW1 3EHB 6NKN 5Z62 5LUF 1AR1 |
| MHM |
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.