(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: ADA
File name: alatis_output_compound.sdf
|
Formula: C6H10O7 Compound mass: 194.13900000000007 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 1.00
- Compound probability: 1.00
List of identified carbohydrate fragments:
-
C6H10O7
Fragment probability: 1.00
Fragment mass: 194.13900000000007
Fragment main chain atoms: [2, 4, 13, 6, 3, 1, 8, 15, 20, 12, 18, 23, 9, 16, 21, 7, 14, 19]
Fragment all atoms: [2, 4, 17, 5, 10, 11, 22, 13, 6, 3, 1, 8, 15, 20, 12, 18, 23, 9, 16, 21, 7, 14, 19]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| BEM | 5H6U 4XIG 5GKQ 4F10 4E25 3VLU 6JPN 2ZAC 4XTC 1J1N 5H71 3EW4 4F13 4TQU 4OJZ 2ZAA 3EVL 4OZV 3VLW 4E23 6JPH 3A09 1Y3N 2ZAB 1Y3P |
| GTR | 4N8Y 3NJV 4Z03 1N7Q 1KCC 6HZE 4YZA 6HZG 4PF8 4OVR 4MIJ 6SZO 4YZQ 4YZ0 5OLS 4YZX 2V8K 6OJL 1KCD 4N17 |
| BDP | 1ON8 3A0N 4NDZ 2JCR 2KQO 5E9B 1LOH 1N7R 2BVK 2WDX 1N7Q 5T0A 3H7D 5E97 1OFM 3UAN 4MRD 4X04 3C9E 4XFE 6E0W 6I01 4N8W 5T03 1LXK 3HYA 3VNZ 5T05 5MUL 6SYV 6EUF 5IK5 6D3U 1LXM 4X8R 3UUG 3KL3 5IK8 4FMS 5UAS 4C4M 4OVQ 4P1L 4QB2 1GQK 6SZ4 1HM3 5Z1B 1HUA 1GQL 6BJQ 4N15 4P3L 4MHF 1HMW 5E98 1CAP 3IM0 4N91 |
| ADA | 2O0V 2NTP 1GXO 2O17 4YZ0 3B8Y 2NTQ 4N8Y 2NT6 2NZM 3ZSC 4Z03 2EWE 2O04 4MIJ 4YZX 6OJL 4YZQ 2NSP 2UVH 5AMV 3VMW 2NTB 3KRG 2NST 2Z8S 5OLR 2V8K 5XQO 2NT9 4YZA 4PR7 5OLS 2UVJ 6NCX 6OJK 4EW9 4Z06 2O1D 6HZG |
| X1X | 4YZA 4YZ0 4NX1 |
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.