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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 32 families. | |||||
1 | 4QB6 | - | XYP GCU | n/a | n/a |
2 | 4QB2 | - | GCU | C6 H10 O7 | [C@@H]1([C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 19 families. | |||||
1 | 4QB6 | - | XYP GCU | n/a | n/a |
2 | 4QB2 | - | GCU | C6 H10 O7 | [C@@H]1([C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | XYP GCU | 1 | 1 |
2 | XYP XYP | 0.473684 | 0.916667 |
3 | ADA ADA ADA | 0.457143 | 0.868421 |
4 | ADA ADA | 0.4375 | 0.710526 |
5 | XYP XYP XYP XYP | 0.421875 | 0.944444 |
6 | ADA ADA ADA ADA ADA ADA | 0.411765 | 0.736842 |
7 | ADA ADA ADA ADA | 0.411765 | 0.736842 |
8 | ADA ADA ADA ADA ADA | 0.411765 | 0.736842 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC IFM | 0.9200 |
2 | GLC GLC | 0.9176 |
3 | BGC GLC | 0.9108 |
4 | GLC 7LQ | 0.9107 |
5 | NOJ GLC | 0.9084 |
6 | BDF GLC | 0.9061 |
7 | RR7 GLC | 0.9019 |
8 | GLC DMJ | 0.8994 |
9 | F9W | 0.8992 |
10 | BGC BGC | 0.8953 |
11 | RZM | 0.8941 |
12 | GLF B8D | 0.8934 |
13 | SER MAN | 0.8931 |
14 | GLC BGC | 0.8910 |
15 | RAM GAD | 0.8890 |
16 | GDQ GLC | 0.8877 |
17 | MAN IFM | 0.8869 |
18 | MYG | 0.8855 |
19 | 7D1 MAN | 0.8835 |
20 | EBQ | 0.8831 |
21 | DGO Z61 | 0.8828 |
22 | DGO MAN | 0.8815 |
23 | TW7 GLC | 0.8806 |
24 | GAL GLA | 0.8803 |
25 | FRU GLC | 0.8786 |
26 | 2M8 | 0.8779 |
27 | MAN GLC | 0.8765 |
28 | J5B | 0.8755 |
29 | 9E3 | 0.8754 |
30 | SRE | 0.8730 |
31 | DIF | 0.8705 |
32 | 7NU | 0.8681 |
33 | GLC Z9N | 0.8670 |
34 | MAN G63 | 0.8667 |
35 | BQZ | 0.8662 |
36 | MAN MNM | 0.8647 |
37 | 9FN | 0.8604 |
38 | MBG GLA | 0.8581 |
39 | GAL GAL | 0.8559 |
This union binding pocket(no: 1) in the query (biounit: 4qb6.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |