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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 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 | GLC DMJ | 1 | 1 |
2 | MAN G63 | 0.627119 | 0.9375 |
3 | NOJ GLC | 0.62069 | 1 |
4 | NOK GAL | 0.552239 | 0.833333 |
5 | IFM BGC | 0.55 | 0.893617 |
6 | BQZ | 0.5 | 0.666667 |
7 | MAN MNM | 0.492063 | 0.84 |
8 | NOY BGC | 0.492063 | 0.84 |
9 | MBG GLA | 0.482759 | 0.666667 |
10 | RR7 GLC | 0.47541 | 0.702128 |
11 | GAL GLA | 0.474576 | 0.695652 |
12 | MAN MAN BMA | 0.470588 | 0.73913 |
13 | NOJ BGC | 0.46875 | 1 |
14 | 5QP | 0.460317 | 0.733333 |
15 | MBG GAL | 0.459016 | 0.666667 |
16 | RZM | 0.459016 | 0.833333 |
17 | MGL GAL | 0.459016 | 0.666667 |
18 | BGC GLA GAL | 0.457627 | 0.695652 |
19 | 9MR | 0.453125 | 0.851064 |
20 | BGC OXZ | 0.453125 | 0.769231 |
21 | MAN BMA BMA | 0.447761 | 0.73913 |
22 | EDG AHR | 0.442623 | 0.875 |
23 | MAN MAN | 0.442623 | 0.733333 |
24 | CJX | 0.439394 | 0.857143 |
25 | BGC BGC BGC BGC BGC BGC BGC | 0.4375 | 0.695652 |
26 | BGC BGC BGC BGC BGC BGC | 0.4375 | 0.695652 |
27 | GLC BGC BGC BGC | 0.4375 | 0.695652 |
28 | BGC BGC BGC BGC BGC | 0.4375 | 0.695652 |
29 | BGC BGC BGC | 0.4375 | 0.695652 |
30 | GDQ GLC | 0.432836 | 0.877551 |
31 | GLC EDO GLC | 0.430769 | 0.702128 |
32 | 7D1 MAN | 0.428571 | 0.702128 |
33 | GLC IFM | 0.424242 | 0.87234 |
34 | GLC GLC GLC GLC BGC GLC GLC | 0.421875 | 0.695652 |
35 | FUC GAL | 0.421875 | 0.659574 |
36 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.421875 | 0.695652 |
37 | MAN BMA BMA BMA BMA BMA BMA | 0.421875 | 0.695652 |
38 | 3CU GLC | 0.41791 | 0.811321 |
39 | GCU BGC | 0.41791 | 0.680851 |
40 | IDC | 0.416667 | 0.639344 |
41 | MVL BMA | 0.416667 | 0.639344 |
42 | MAN IPD MAN | 0.415385 | 0.611111 |
43 | FRU BMA | 0.415385 | 0.64 |
44 | H1M MAN MAN | 0.413333 | 0.66 |
45 | GPM GLC | 0.411765 | 0.6 |
46 | MMA MAN MAN | 0.408451 | 0.666667 |
47 | G2F BGC BGC BGC BGC BGC | 0.408451 | 0.66 |
48 | NAG BMA | 0.408451 | 0.788462 |
49 | MMA | 0.407407 | 0.638298 |
50 | GYP | 0.407407 | 0.638298 |
51 | MBG | 0.407407 | 0.638298 |
52 | AMG | 0.407407 | 0.638298 |
53 | MGC GAL | 0.405797 | 0.703704 |
54 | BGC 5VQ GAL GLA | 0.405797 | 0.64 |
55 | AHR FUB | 0.403509 | 0.604167 |
56 | LG9 GLC | 0.4 | 0.796296 |
57 | BMA MAN MAN | 0.4 | 0.695652 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC 7LQ | 0.9692 |
2 | GLC GLC | 0.9533 |
3 | MAN IFM | 0.9514 |
4 | MAN GLC | 0.9511 |
5 | DGO MAN | 0.9476 |
6 | FRU GLC | 0.9333 |
7 | BGC GLC | 0.9284 |
8 | ZEL MAN | 0.9243 |
9 | DGO Z61 | 0.9239 |
10 | GLA BEZ | 0.9158 |
11 | MMA MAN | 0.9115 |
12 | RAM GAD | 0.9109 |
13 | GLC Z9N | 0.9045 |
14 | BGC BGC | 0.9041 |
15 | XYP GCU | 0.8994 |
16 | GAL FUC | 0.8941 |
17 | MYG | 0.8934 |
18 | GLC BGC | 0.8920 |
19 | TW7 GLC | 0.8895 |
20 | MA1 GLC | 0.8891 |
21 | BDF GLC | 0.8858 |
22 | MAN MVL | 0.8826 |
23 | IFM BMA | 0.8807 |
24 | BMA IFM | 0.8807 |
25 | SGC GLC | 0.8806 |
26 | GLC GLA | 0.8752 |
27 | NOS | 0.8747 |
28 | GMH GMH | 0.8732 |
29 | GLF B8D | 0.8721 |
30 | ADN | 0.8711 |
31 | GLC FRU | 0.8705 |
32 | 6MD | 0.8697 |
33 | MTP | 0.8696 |
34 | XYP XYP | 0.8694 |
35 | AD3 | 0.8672 |
36 | FMB | 0.8612 |
37 | LOX XYP | 0.8573 |
38 | GCS GCS | 0.8534 |
39 | FTU | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 5lyr.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |