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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1I75 | - | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
2 | 1V3M | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
3 | 1V3L | - | GLC GLC GLD ACI | n/a | n/a |
4 | 1UKT | ic50 > 5600 uM | GAL GLC GLD ACI | n/a | n/a |
5 | 1UKQ | ic50 = 0.33 uM | GLC BGC G6D ACI | n/a | n/a |
6 | 1DED | - | BGC GLC AC1 | n/a | n/a |
7 | 1UKS | ic50 = 3300 uM | GLC GAL GLD ACI | n/a | n/a |
8 | 1CXH | - | GLC GLC GLC GLC | n/a | n/a |
9 | 1CGV | - | GLC GLC | n/a | n/a |
10 | 1EO5 | - | GLC GLC GLC | n/a | n/a |
11 | 1DTU | - | GLC GLC | n/a | n/a |
12 | 1OT1 | - | BGC GLC GLC GLC | n/a | n/a |
13 | 1KCL | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
14 | 1CXI | - | GLC GLC | n/a | n/a |
15 | 1D3C | - | GLC GLC | n/a | n/a |
16 | 1CGY | - | GLC GLC | n/a | n/a |
17 | 1PJ9 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
18 | 1EO7 | - | GLC GLC GLC | n/a | n/a |
19 | 1CXK | - | GLC GLC | n/a | n/a |
20 | 2CXG | - | GLC G6D ACI GLC | n/a | n/a |
21 | 1CXE | - | GLC GLC GLC GLC | n/a | n/a |
22 | 1KCK | - | GLC G6D ADH GLC | n/a | n/a |
23 | 1OT2 | - | BGC GLC GLC GLC | n/a | n/a |
24 | 1PEZ | - | BGC GLC | n/a | n/a |
25 | 1CDG | - | GLC GLC | n/a | n/a |
26 | 3BMW | - | GLC GLC GLC G6D ACI GLC GLC | n/a | n/a |
27 | 5CGT | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
28 | 9CGT | - | Z9E 4SG GLC 4SG GLC | n/a | n/a |
29 | 8CGT | - | 4SG GLC 4SG GLC 4SG GLC | n/a | n/a |
30 | 1CGU | - | GLC GLC | n/a | n/a |
31 | 3CGT | - | GLC GLC GLC GLC GLC GLC GLC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1I75 | - | NOJ | C6 H13 N O4 | C1[C@@H]([.... |
2 | 1V3M | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
3 | 1V3L | - | GLC GLC GLD ACI | n/a | n/a |
4 | 1UKT | ic50 > 5600 uM | GAL GLC GLD ACI | n/a | n/a |
5 | 1UKQ | ic50 = 0.33 uM | GLC BGC G6D ACI | n/a | n/a |
6 | 1DED | - | BGC GLC AC1 | n/a | n/a |
7 | 1UKS | ic50 = 3300 uM | GLC GAL GLD ACI | n/a | n/a |
8 | 1CXH | - | GLC GLC GLC GLC | n/a | n/a |
9 | 1CGV | - | GLC GLC | n/a | n/a |
10 | 1EO5 | - | GLC GLC GLC | n/a | n/a |
11 | 1DTU | - | GLC GLC | n/a | n/a |
12 | 1OT1 | - | BGC GLC GLC GLC | n/a | n/a |
13 | 1KCL | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
14 | 1CXI | - | GLC GLC | n/a | n/a |
15 | 1D3C | - | GLC GLC | n/a | n/a |
16 | 1CGY | - | GLC GLC | n/a | n/a |
17 | 1PJ9 | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
18 | 1EO7 | - | GLC GLC GLC | n/a | n/a |
19 | 1CXK | - | GLC GLC | n/a | n/a |
20 | 2CXG | - | GLC G6D ACI GLC | n/a | n/a |
21 | 1CXE | - | GLC GLC GLC GLC | n/a | n/a |
22 | 1KCK | - | GLC G6D ADH GLC | n/a | n/a |
23 | 1OT2 | - | BGC GLC GLC GLC | n/a | n/a |
24 | 1PEZ | - | BGC GLC | n/a | n/a |
25 | 1CDG | - | GLC GLC | n/a | n/a |
26 | 1QHP | - | GLC GLC | n/a | n/a |
27 | 1QHO | - | GLC GLC | n/a | n/a |
28 | 3BMW | - | GLC GLC GLC G6D ACI GLC GLC | n/a | n/a |
29 | 5CGT | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
30 | 9CGT | - | Z9E 4SG GLC 4SG GLC | n/a | n/a |
31 | 8CGT | - | 4SG GLC 4SG GLC 4SG GLC | n/a | n/a |
32 | 1CGU | - | GLC GLC | n/a | n/a |
33 | 3CGT | - | GLC GLC GLC GLC GLC GLC GLC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC GLC GLC G6D ACI GLC GLC | 1 | 1 |
2 | GLC BGC G6D ACI | 0.948052 | 1 |
3 | BGC GLC AC1 GLC GLC GLC AC1 | 0.855422 | 0.957447 |
4 | GLC GLC GLC DAF DAF | 0.855422 | 0.957447 |
5 | BGC G6D GLC ACI G6D ACI | 0.855422 | 0.957447 |
6 | GAL GLC GLD ACI | 0.759036 | 1 |
7 | BGC GLC DAF GLC GLC GLC DAF | 0.714286 | 0.882353 |
8 | BGC GLC AC1 GLC AC1 | 0.714286 | 0.882353 |
9 | BGC DAF | 0.698795 | 1 |
10 | BGC GLC AGL GLC GLC GLC | 0.670455 | 0.895833 |
11 | GLC GLC AGL HMC GLC | 0.59596 | 0.877551 |
12 | GLC GLC AC1 GLC GLC GLC | 0.59596 | 0.877551 |
13 | GLC GLC G6D GLC ACI GLC | 0.59596 | 0.877551 |
14 | MAN BMA BMA BMA BMA BMA BMA | 0.571429 | 0.733333 |
15 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.571429 | 0.733333 |
16 | GLC GLC GLC GLC BGC GLC GLC | 0.571429 | 0.733333 |
17 | GLC GLC G6D ACI | 0.555556 | 0.877551 |
18 | GLC GLC GLC GLC GLC GLC AC1 | 0.530612 | 0.877551 |
19 | GLC GLC GLC AC1 | 0.530612 | 0.877551 |
20 | BGC GLC GLD GLC ACI GLD GLC ACI G6D | 0.519231 | 0.823529 |
21 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.511628 | 0.733333 |
22 | BGC GAL FUC GLA | 0.489362 | 0.755556 |
23 | GLC GLC AC1 | 0.488372 | 0.933333 |
24 | GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI | 0.485981 | 0.843137 |
25 | GLC AC1 GLC AC1 | 0.485981 | 0.843137 |
26 | GLC GLC G6D GLC ACI G6D ACI | 0.485981 | 0.843137 |
27 | BMA BMA BMA BMA GLA | 0.483516 | 0.733333 |
28 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.483516 | 0.733333 |
29 | BGC GLC AGL GLC HMC AGL | 0.481481 | 0.823529 |
30 | GLC GLC GLC GLC GLC | 0.472527 | 0.733333 |
31 | BGC GLC GLC GLC | 0.472527 | 0.733333 |
32 | TXT | 0.47 | 0.955556 |
33 | BGC GAL NGA GAL | 0.46875 | 0.836735 |
34 | BGC GAL FUC | 0.466667 | 0.755556 |
35 | GLC GAL BGC FUC | 0.466667 | 0.755556 |
36 | BGC GAL GLA | 0.465116 | 0.733333 |
37 | MAN BMA BMA | 0.45977 | 0.73913 |
38 | G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D | 0.454545 | 0.755556 |
39 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.45 | 0.73913 |
40 | BGC BGC BGC BGC BGC XYS | 0.45 | 0.73913 |
41 | BGC GLA GAL | 0.45 | 0.733333 |
42 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.45 | 0.73913 |
43 | AAO | 0.449541 | 0.836735 |
44 | ARE | 0.449541 | 0.836735 |
45 | BGC FUC GAL | 0.444444 | 0.755556 |
46 | G2F BGC BGC BGC BGC BGC | 0.444444 | 0.66 |
47 | GLC BGC FUC GAL | 0.444444 | 0.755556 |
48 | G2F SHG BGC BGC | 0.443182 | 0.673469 |
49 | BGC GAL NGA | 0.442105 | 0.836735 |
50 | BGC GAL GLA NGA GAL | 0.441176 | 0.836735 |
51 | FUC GAL | 0.440476 | 0.733333 |
52 | GLC GLC AGL HMC | 0.431193 | 0.784314 |
53 | BGC BGC BGC XYS BGC XYS | 0.43 | 0.73913 |
54 | BMA BMA BMA BMA | 0.428571 | 0.695652 |
55 | BGC GLC GLC | 0.428571 | 0.733333 |
56 | BGC GLC AC1 | 0.424779 | 0.877551 |
57 | BGC BGC BGC XYS | 0.424242 | 0.73913 |
58 | G3I | 0.419355 | 0.795918 |
59 | G2I | 0.419355 | 0.795918 |
60 | BGC GAL GLA NGA | 0.417476 | 0.836735 |
61 | MGL GAL | 0.416667 | 0.73913 |
62 | BGC BGC BGC XYS XYS GAL GAL | 0.415094 | 0.73913 |
63 | GLC GAL NAG GAL FUC GLA | 0.412281 | 0.82 |
64 | BGC 5VQ GAL GLA | 0.411111 | 0.708333 |
65 | BGC BGC BGC XYS BGC XYS GAL | 0.407407 | 0.73913 |
66 | NDG GAL | 0.406593 | 0.655738 |
67 | BGC OXZ BGC | 0.404255 | 0.722222 |
68 | BGC GAL NAG GAL | 0.401961 | 0.836735 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 3bmw.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3VM7 | GLC | 35.3659 |
2 | 6SAU | BGC GLC AC1 GLC AC1 | 43.0435 |
3 | 6SAO | BGC GLC AC1 GLC AC1 | 43.2802 |
4 | 5A2B | GLC GLC | 46.4789 |