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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 | 5M03 | - | MAN MAN | n/a | n/a |
2 | 6HMH | - | GDQ GLC | n/a | n/a |
3 | 5MC8 | - | DGO MAN | n/a | n/a |
4 | 6HMG | - | GDQ GLC | n/a | n/a |
5 | 6FAR | - | MAN MVL | n/a | n/a |
6 | 5LYR | Kd = 0.013 uM | MAN MNM | n/a | n/a |
7 | 4AD5 | - | MAN MAN | n/a | n/a |
8 | 4V27 | Kd = 217 nM | MAN IFM | n/a | n/a |
9 | 5M5D | Kd = 111 uM | DGO MAN | n/a | n/a |
10 | 5M3W | - | 7D1 MAN | n/a | n/a |
11 | 4AD2 | Kd = 625 nM | GLC IFM | n/a | n/a |
12 | 4AD3 | Kd = 24 uM | GLC DMJ | n/a | n/a |
13 | 5M17 | Kd = 221 uM | 7D1 MAN | n/a | n/a |
14 | 6FAM | - | MAN G63 | n/a | n/a |
15 | 4V28 | - | MAN 4MU MAN | n/a | n/a |
16 | 4AD4 | - | MAN MAN | n/a | n/a |
17 | 5MEL | - | GLC 7LQ | 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 | 5M03 | - | MAN MAN | n/a | n/a |
2 | 6HMH | - | GDQ GLC | n/a | n/a |
3 | 5MC8 | - | DGO MAN | n/a | n/a |
4 | 6HMG | - | GDQ GLC | n/a | n/a |
5 | 6FAR | - | MAN MVL | n/a | n/a |
6 | 5LYR | Kd = 0.013 uM | MAN MNM | n/a | n/a |
7 | 4AD5 | - | MAN MAN | n/a | n/a |
8 | 4V27 | Kd = 217 nM | MAN IFM | n/a | n/a |
9 | 5M5D | Kd = 111 uM | DGO MAN | n/a | n/a |
10 | 5M3W | - | 7D1 MAN | n/a | n/a |
11 | 4AD2 | Kd = 625 nM | GLC IFM | n/a | n/a |
12 | 4AD3 | Kd = 24 uM | GLC DMJ | n/a | n/a |
13 | 5M17 | Kd = 221 uM | 7D1 MAN | n/a | n/a |
14 | 6FAM | - | MAN G63 | n/a | n/a |
15 | 4V28 | - | MAN 4MU MAN | n/a | n/a |
16 | 4AD4 | - | MAN MAN | n/a | n/a |
17 | 5MEL | - | GLC 7LQ | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GDQ GLC | 1 | 1 |
2 | BQZ | 0.509091 | 0.638298 |
3 | MAN MNM | 0.5 | 0.773585 |
4 | IFM BGC | 0.484375 | 0.82 |
5 | NOY BGC | 0.476923 | 0.773585 |
6 | RZM | 0.467742 | 0.8 |
7 | MBG GLA | 0.466667 | 0.64 |
8 | 9MR | 0.461538 | 0.78 |
9 | RR7 GLC | 0.460317 | 0.673469 |
10 | GAL GLA | 0.459016 | 0.666667 |
11 | 5QP | 0.446154 | 0.666667 |
12 | BGC GLA GAL | 0.442623 | 0.666667 |
13 | ISX | 0.439394 | 0.76 |
14 | BGC OXZ | 0.439394 | 0.709091 |
15 | NOJ GLC | 0.432836 | 0.877551 |
16 | GLC IFM | 0.432836 | 0.8 |
17 | GLC DMJ | 0.432836 | 0.877551 |
18 | FUC GAL | 0.430769 | 0.632653 |
19 | CJX | 0.426471 | 0.788462 |
20 | BGC BGC BGC BGC BGC BGC | 0.424242 | 0.666667 |
21 | GLC BGC BGC BGC | 0.424242 | 0.666667 |
22 | BGC BGC BGC | 0.424242 | 0.666667 |
23 | BGC BGC BGC BGC BGC BGC BGC | 0.424242 | 0.666667 |
24 | BGC BGC BGC BGC BGC | 0.424242 | 0.666667 |
25 | MGL GAL | 0.421875 | 0.64 |
26 | MBG GAL | 0.421875 | 0.64 |
27 | MAN G63 | 0.42029 | 0.826923 |
28 | GLC GLC GLC GLC BGC GLC GLC | 0.409091 | 0.666667 |
29 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.409091 | 0.666667 |
30 | MAN BMA BMA BMA BMA BMA BMA | 0.409091 | 0.666667 |
31 | BMA MAN MAN | 0.408451 | 0.666667 |
32 | MAN MAN | 0.40625 | 0.666667 |
33 | GCU BGC | 0.405797 | 0.653061 |
34 | GLC 7LQ | 0.405797 | 0.632653 |
35 | ABL | 0.405797 | 0.773585 |
36 | G2I | 0.405405 | 0.764706 |
37 | G3I | 0.405405 | 0.764706 |
38 | FRU BMA | 0.402985 | 0.615385 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GLC | 0.9660 |
2 | BGC GLC | 0.9615 |
3 | MAN IFM | 0.9586 |
4 | DGO MAN | 0.9501 |
5 | 7D1 MAN | 0.9472 |
6 | FRU GLC | 0.9399 |
7 | MAN GLC | 0.9311 |
8 | DGO Z61 | 0.9295 |
9 | TW7 GLC | 0.9174 |
10 | GLA BEZ | 0.9115 |
11 | SGC GLC | 0.9070 |
12 | GAL FUC | 0.9051 |
13 | GLC BGC | 0.9035 |
14 | BDF GLC | 0.8986 |
15 | ZEL MAN | 0.8981 |
16 | MYG | 0.8974 |
17 | BGC BGC | 0.8923 |
18 | GLC Z9N | 0.8889 |
19 | XYP GCU | 0.8877 |
20 | GAL GAL | 0.8867 |
21 | OTU | 0.8864 |
22 | DSQ | 0.8850 |
23 | RAM GAD | 0.8809 |
24 | BGC GLA | 0.8739 |
25 | ADN | 0.8738 |
26 | NOS | 0.8724 |
27 | MTP | 0.8684 |
28 | FMB | 0.8677 |
29 | TOP | 0.8677 |
30 | AX8 | 0.8645 |
31 | FMC | 0.8627 |
32 | GLC GLA | 0.8624 |
33 | IFM BMA | 0.8622 |
34 | DBM | 0.8584 |
35 | PRH | 0.8561 |
This union binding pocket(no: 1) in the query (biounit: 5lyr.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |