(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: OEX
File name: alatis_output_compound.sdf
|
Formula: CA1MN4O5 Compound mass: 79.997 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 |
| OEC | 3BZ2 4V62 4FBY 3BZ1 2AXT 4V82 3A0B 3PRQ 4IXR 4IXQ 3KZI 3A0H 3PRR 1S5L |
| QEB | 6RO5 |
| OEX | 6JLO 5B5E 4TNK 4Q54 5XNL 6J40 5E7C 5WS5 5GTH 4UB6 4YUU 4TNI 6JLJ 6J3Y 6JLL 6KAD 5TIS 3ARC 4UB8 5V2C 6KAC 6JLM 5B66 4PJ0 6DHO 5WS6 4TNJ 6J3Z 5XNM 5H2F 6JLK 4TNH 5E79 5KAF 5ZZN 5KAI 3JCU 6DHE 6JLN 4RVY 6JLP 3WU2 6DHF 6DHP 6DHG 5GTI 6JLU 4PBU |
| 6LL | 4BVP |
| C2O | 3G5W 3GYR 1BT1 1KV7 2YXV 1BT3 2FQG 1AOZ 3NSY 2ZWN 1BT2 2YXW 2FQD 1GSK 2FQE 3AW5 5B7E 3PAU 2FQF 2P3X |
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.