(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: 18B
File name: alatis_output_compound.sdf
|
Formula: C33H36N4O6 Compound mass: 584.660699999998 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.38
- Compound probability: 0.05
List of identified carbohydrate fragments:
-
C2H3
Fragment probability: 0.38
Fragment mass: 39.0558
Fragment main chain atoms: [1, 7]
Fragment all atoms: [1, 44, 45, 7, 61]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| 18B | 3I8U |
| BL3 | 3AJH 3I94 |
| M1V | 4LMS |
| BLA | 2UUM 5F6Z 3G6O 3NHQ 2X9I 3C2W 2X9J 5B3V 4S21 3AJG 4EOC 1KTP 1B33 4GPH 1S8C 4EHO 4I3B 6PLE 5VIQ 5ZOH 2UUN 2VGR 2X9O 5EZ2 3BRP 4R6L 4GW9 4EOE 5AKP 1BVD 2UUL 4GPC 3NOT 3KVS 2VCK 5B4I 2C7J 3F0M 5UYR 5HSQ 4I3D 4GPF 4L1E 1HE2 1F99 6HRK 5OY5 5B4H 3NOU 1EYX 5I5L 4R70 3NB9 5C5K 4RPW 1J2C 4I3C 2VUE 3F0L 3I95 3IBR 1BVC 2D1E 2C7L 5B4J 5BTQ 3NOP 4EOD 4QCD 4RQ9 5VIK 2C7K 3NB8 1ZTU |
| CYC | 4H0M 2BV8 4PO5 4F0U 5Y6P 2LB9 6BHO 5MJQ 2UUN 6KGX 6JPR 2KOI 2K2N 5B13 1HA7 5TOU 5DFX 2VML 1GH0 2UUL 2LB5 5OOK 6BHN 4O4S 3L0F 1EYX 4L1E 6HRN 2VJR 4Q70 2KLI 1CPC 5MJM 4XXI 2UUM 4GXE 1LIA 1I7Y 3DBJ 3JBB 6OAQ 4LMS 4Z8K 2C7L 4YJJ 3W2Z 4RMP 1ON7 1B33 3O18 5TJF 1F99 4F0T 5O7M 1JBO 5MJP 4XXK 1PHN 2VEA 5UVK 3MWN 5DFY 6OAP 1KTP 4N6S 1ALL 3O2C 2V8A 4LM6 4BWI 2C7K 6OB8 2VJT 2C7J 4ZIZ 4GY3 1KN1 5M85 3ZQ5 5M82 |
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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