(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: A61
File name: alatis_output_compound.sdf
|
Formula: C30H39N3O7S2 Compound mass: 617.7749999999977 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 |
| A61 | 3O9I |
| K19 | 3O9D |
| 74T | 3R4B |
| 0KJ | 4DJR |
| 017 | 3LZS 2F80 3D1Z 3MWS 3U7S 3S54 4DQC 2IEN 2HS2 3EM6 3CYW 6DGX 3OXW 6OOS 6OOU 2IDW 6OOT 3UCB 4DQF 3OY4 2IEO 4Q1Y 4DQB 3EKT 6DH6 6DH0 6DH3 3S53 4LL3 3JVY 6OPS 3OGP 4DQH 6OPX 1T3R 3SO9 1T7I 3LZU 3TKW 3JW2 6OPW 6OPZ 2F81 3LZV 2HS1 5E5J 3BVB 4YOA 3GGT 5KR1 3GGU 4Q1X 4Q1W 5E5K 3D20 4NPT 4HLA 4NJT 5T2Z 3T3C 4DQE 3QOZ 3EBZ 6OPT 3TTP 6OPY 2F8G 5KQY 6OPU 3PWM 6OPV |
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.