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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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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 | MAN G63 | 1 | 1 |
2 | GLC DMJ | 0.627119 | 0.9375 |
3 | NOJ GLC | 0.548387 | 0.9375 |
4 | NOK GAL | 0.536232 | 0.888889 |
5 | BQZ | 0.482143 | 0.625 |
6 | MAN MNM | 0.476923 | 0.792453 |
7 | NOY BGC | 0.476923 | 0.792453 |
8 | MAN MAN | 0.47541 | 0.6875 |
9 | IFM BGC | 0.461538 | 0.84 |
10 | 7D1 MAN | 0.460317 | 0.66 |
11 | GAL GLA | 0.459016 | 0.653061 |
12 | RZM | 0.444444 | 0.784314 |
13 | MBG GLA | 0.442623 | 0.627451 |
14 | BGC GLA GAL | 0.442623 | 0.653061 |
15 | RR7 GLC | 0.4375 | 0.66 |
16 | GLC IFM | 0.432836 | 0.82 |
17 | CJX | 0.426471 | 0.88 |
18 | 3CU GLC | 0.426471 | 0.767857 |
19 | 5QP | 0.424242 | 0.6875 |
20 | BGC BGC BGC BGC BGC | 0.424242 | 0.653061 |
21 | BGC BGC BGC BGC BGC BGC BGC | 0.424242 | 0.653061 |
22 | GLC BGC BGC BGC | 0.424242 | 0.653061 |
23 | BGC BGC BGC BGC BGC BGC | 0.424242 | 0.653061 |
24 | BGC BGC BGC | 0.424242 | 0.653061 |
25 | MGL GAL | 0.421875 | 0.627451 |
26 | MBG GAL | 0.421875 | 0.627451 |
27 | GDQ GLC | 0.42029 | 0.826923 |
28 | 9MR | 0.41791 | 0.8 |
29 | BGC OXZ | 0.41791 | 0.727273 |
30 | G2F BGC BGC BGC BGC BGC | 0.416667 | 0.622642 |
31 | MAN BMA BMA | 0.414286 | 0.693878 |
32 | FUC GAL | 0.409091 | 0.62 |
33 | MAN BMA BMA BMA BMA BMA BMA | 0.409091 | 0.653061 |
34 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.409091 | 0.653061 |
35 | GLC GLC GLC GLC BGC GLC GLC | 0.409091 | 0.653061 |
36 | GCU BGC | 0.405797 | 0.64 |
37 | FRU BMA | 0.402985 | 0.603774 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MAN IFM | 0.9709 |
2 | DGO MAN | 0.9704 |
3 | GLC 7LQ | 0.9466 |
4 | ZEL MAN | 0.9452 |
5 | MMA MAN | 0.9335 |
6 | GLC GLC | 0.9335 |
7 | MAN GLC | 0.9311 |
8 | DGO Z61 | 0.9255 |
9 | XMM | 0.9202 |
10 | FRU GLC | 0.9067 |
11 | BGC GLC | 0.9067 |
12 | GMH GMH | 0.9005 |
13 | MAN MVL | 0.9001 |
14 | GLA BEZ | 0.8938 |
15 | RAM GAD | 0.8875 |
16 | 2M8 | 0.8851 |
17 | Z4R MAN | 0.8830 |
18 | BMA IFM | 0.8822 |
19 | IFM BMA | 0.8822 |
20 | DMJ MAN | 0.8777 |
21 | MTP | 0.8744 |
22 | ADN | 0.8741 |
23 | MYG | 0.8707 |
24 | BDF GLC | 0.8698 |
25 | XYA | 0.8668 |
26 | XYP GCU | 0.8667 |
27 | SER MAN | 0.8652 |
28 | MMA LDY | 0.8561 |
29 | FMB | 0.8504 |
This union binding pocket(no: 1) in the query (biounit: 5lyr.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |