(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HCO
File name: alatis_output_compound.sdf
|
Formula: C34Fe1H34N4O5 Compound mass: 634.5011999999981 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.30
- Compound probability: 0.14
List of identified carbohydrate fragments:
-
C5H4O1
Fragment probability: 0.30
Fragment mass: 56.0631
Fragment main chain atoms: [6, 20, 39]
Fragment all atoms: [6, 58, 59, 20, 34, 74, 19, 31, 39, 75]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| HCO | 1QYZ |
| HFM | 1R0Q |
| HDD | 1YE9 2IUF 3PQ4 4B5K 1P81 3PQ7 4AUE 4ENQ 5BV2 3PQ3 3P9P 3P9R 1GGJ 5DOQ 4ENV 5XY4 5Y17 6RX4 4ENT 3PQ2 5XZM 4AUN 5XVZ 3P9Q 5ZZ1 4B31 1GGE 3PQ8 5XZN 4ENU 3P9S 1SY7 4ENS 4ENW 4B7A 5IR6 2XF2 3PQ6 4B40 3PQ5 4AUM 6RKO |
| FMI | 1S73 1SDQ 1SBM |
| HAS | 4G7Q 4G70 3QJT 3S3B 6HWH 3S3D 1EHK 1XME 3QJR 4G7R 3QJV 3EH4 4N4Y 4FAA 3QJQ 4FA7 3S39 4F05 4GP4 3S8G 4G7S 2YEV 4G71 3EH3 3QJS 4G72 3QJU 2QPE 4ESL 3S3A 4GP8 3S38 3S3C 4GP5 5NDC 3S33 3S8F 3BVD 4EV3 2QPD 3EH5 |
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.