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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4BQ5 | - | GAL AAL AAL GAL GAL AAL AAL GAL | n/a | n/a |
2 | 4BQ4 | - | GAL AAL GAL AAL | n/a | n/a |
3 | 4BQ3 | - | 47N | C12 H20 O10 | C1[C@H]2[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4BQ5 | - | GAL AAL AAL GAL GAL AAL AAL GAL | n/a | n/a |
2 | 4BQ4 | - | GAL AAL GAL AAL | n/a | n/a |
3 | 4BQ3 | - | 47N | C12 H20 O10 | C1[C@H]2[C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GAL AAL | 1 | 1 |
2 | 47N | 1 | 1 |
3 | GAL AAL GAL AAL | 0.731343 | 1 |
4 | GAL AAL GAL AAL GAL AAL | 0.731343 | 1 |
5 | GAL AAL AAL GAL GAL AAL AAL GAL | 0.538462 | 0.923077 |
6 | GAL GLA | 0.508475 | 0.891892 |
7 | GLC BGC BGC BGC | 0.46875 | 0.891892 |
8 | BGC BGC BGC BGC BGC | 0.46875 | 0.891892 |
9 | BGC BGC BGC BGC BGC BGC | 0.46875 | 0.891892 |
10 | BGC BGC BGC | 0.46875 | 0.891892 |
11 | BGC BGC BGC BGC BGC BGC BGC | 0.46875 | 0.891892 |
12 | G4S G4S 9RN DGS G4S 9RN | 0.42268 | 0.672727 |
13 | G4S DGS | 0.410256 | 0.666667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | ABL | 0.8829 |
2 | DSQ | 0.8753 |
3 | FUC GAL | 0.8733 |
4 | 7G2 | 0.8707 |
5 | BGC BGC | 0.8704 |
6 | MBG GLA | 0.8702 |
7 | BGC GAL | 0.8664 |
8 | AGI | 0.8659 |
9 | 78P | 0.8653 |
10 | FLF | 0.8644 |
11 | LU2 | 0.8638 |
12 | 8HH | 0.8623 |
13 | GLC GAL | 0.8619 |
14 | BMA GAL | 0.8619 |
15 | BMA BGC | 0.8594 |
16 | IFM BGC | 0.8587 |
17 | XYP XYP | 0.8584 |
18 | IWH | 0.8581 |
19 | NU3 | 0.8579 |
20 | GAL GAL | 0.8578 |
21 | DS8 | 0.8578 |
22 | 53X | 0.8562 |
23 | MRI | 0.8552 |
24 | GLA GLA | 0.8543 |
25 | MHB | 0.8532 |
26 | Q2S | 0.8531 |
27 | 6JP | 0.8524 |
28 | DT9 | 0.8513 |
This union binding pocket(no: 1) in the query (biounit: 4bq4.bio2) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |