(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: HPV
File name: alatis_output_compound.sdf
|
Formula: C3H5O7P1 Compound mass: 184.04120000000003 Compound with ALATIS labels (download): |
Download outputs in JSON format here.
Probabilities of the best carbohydrate fragment:
- Fragment probability: 0.95
- Compound probability: 0.64
List of identified carbohydrate fragments:
-
C3H3O4
Fragment probability: 0.79
Fragment mass: 103.0534
Fragment main chain atoms: [1, 2, 3]
Fragment all atoms: [1, 12, 13, 10, 2, 4, 3, 5, 6, 14]
-
C2H2O2
Fragment probability: 0.95
Fragment mass: 87.054
Fragment main chain atoms: [1, 2]
Fragment all atoms: [1, 12, 13, 10, 2, 4]
Most similar ligands:
| Ligand Expo ID | PDB protein complex ID |
| HPV | 3DDN |
| 48X | 4Y7F |
| 13P | 2QUU 1FDJ 1OK4 3MHG 5UJW 3T2G 2QJH 2QUT 5TK3 3Q94 5KTN 1E48 2QJI 1WPQ 5TKC 1NEY 3EKL 2R4J 4YMZ 3DFS 5VJD 5VJF 3EKZ 6E90 1J4E 6BTG 4RGQ 3DFO 2WM1 1E47 5F4W 1NF0 5UD0 3BXF 2R4E 5UCK 5UD2 5UCP 1ADO 5UCZ 2FJK 5TKL 6IUY 3T2C 3R1M 5F2G 3BXE 3BV4 1K8Y 5UCN 6NSO 4C25 5F4S 2V2A |
| DG2 | 3WCP 2H4Z 5KSI 2XCV 1B86 3FDZ 2HHJ 2XJF 4L7Y |
| 3PG | 3C3A 2XE8 13PK 1EJJ 3KV3 1IIH 2YBE 2VFI 3KSZ 2JDD 1VPE 4GWK 2VFG 2WZC 1AA1 2X15 2A9J 4Y6N 6HXE 2ABM 3L4S 4Y9X 2X14 3E25 2CUN 3FJG 1QHF 2WZB 2Y3I 5M6Z 3IGY 2X13 2VFH 6CWA 3UWW 2F90 1KF0 1HDI 3ZOZ 5Y79 3PGK 2WZD 3IGZ 5XSF 4DEC 3PGM 2HHJ 3GP5 1RUS 5JQX 5VPU 3C39 4NWJ 5I4M 2X2G 3C3C 5NP8 2H52 4AXX 2VFE 2XE6 5M3U 1QPG 1M7O 2PAA 4O3F 2P9T 2H4X 3FDZ 4NJM 5MXM 4O33 4Y6U 2XE7 |
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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