(CTPIC)
v 1.1 (Spring 2020)
Process a structure file
Publication files:
Submission ID: H2S
File name: alatis_output_compound.sdf
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Formula: H2S1 Compound mass: 34.080799999999996 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 |
| H2S | 1E3D 3HYV 3HYX 3HYW 3PQ4 5X2X 3PQ3 4HPA 3T31 3P9Q 3KPG 3T14 5UCU 3O3N 3SY4 3SZW 3IIX 4KN9 3SXI 6RU9 3IIZ 1YQ9 5T61 3SZF 3PQ6 6I0R 3T2Z 3GIT 3KPI 3PQ2 4UPV 4JY8 3SX6 4M65 3PQ5 4WQ9 4UEQ 4AL2 5Z7F 1CAO 4WCX 3PQ7 5FF3 3PQ8 5JSH 4UQL 5JSK 3MMB 4JXC 5JT1 5T5I 3ZEA 3SYI 1VCK 5JSU 6RUC 3ZE7 4KL8 3SZC 4KO1 4KO3 1CC1 1MOH 4JYD 3T0K 6RTP 4UQP 5JSY 5X30 3O3M 5T5M 5FF2 6FEA 4JYF 4KO2 3KPK 1CRM 4AZ4 3T2Y 4KO4 3O3O |
| S | |
| MEE | 2GYO 2EFT 3AEP 5TG4 6A87 4YW8 3AEL 5TG7 5TG5 2BJS |
| S2H | 3T2Y 3T14 |
| SX | 4RKM 3HZ7 5TCK 1OAO 7GEP |
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.