(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 6OG
File name: alatis_output_compound.sdf
|
Formula: C11H16N5O7P1 Compound mass: 361.2472 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 0.38
List of identified carbohydrate fragments:
-
C5H8N1O3
Fragment probability: 1.00
Fragment mass: 130.1216
Fragment main chain atoms: [2, 5, 6, 23, 7]
Fragment all atoms: [2, 28, 29, 5, 33, 17, 38, 6, 34, 3, 30, 31, 22, 23, 7, 35, 16]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| G32 | |
| 6OG | 3OSN 153D 2HHS 1T38 5L1I 4MFA 2HHT 2HHU 2HHW 5L1J 2HVH 4MFF 5L1L 2HHQ 218D 2J6T 4ZYD 5L1K 3GX4 5OTM 1D27 4Z6F 4OFH 4MF8 1D24 2HHX 4NXZ 2O8C 5OXJ 2J6U 3NGD 5OTN 2J6S 4MF2 2HHV 4NY8 2HW3 4MFC |
| G36 | 144D 130D 128D 1D85 |
| B8W | 6MTB 6MTE 6MTC 6EK0 6MTD |
| 6PO | 4ENK |
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.