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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 MNM | 1 | 1 |
2 | NOY BGC | 0.62069 | 1 |
3 | BQZ | 0.528302 | 0.638298 |
4 | IFM BGC | 0.52459 | 0.82 |
5 | NOJ GLC | 0.516129 | 0.84 |
6 | GLC IFM | 0.516129 | 0.836735 |
7 | 9MR | 0.5 | 0.78 |
8 | GDQ GLC | 0.5 | 0.773585 |
9 | GLC DMJ | 0.492063 | 0.84 |
10 | MBG GLA | 0.482759 | 0.673469 |
11 | MAN G63 | 0.476923 | 0.792453 |
12 | GAL GLA | 0.474576 | 0.702128 |
13 | MGL GAL | 0.459016 | 0.673469 |
14 | RZM | 0.459016 | 0.730769 |
15 | BGC GLA GAL | 0.457627 | 0.702128 |
16 | BGC OXZ | 0.453125 | 0.709091 |
17 | ISX | 0.453125 | 0.795918 |
18 | RR7 GLC | 0.451613 | 0.673469 |
19 | NOK GAL | 0.444444 | 0.803571 |
20 | FUC GAL | 0.444444 | 0.666667 |
21 | MAN MAN | 0.442623 | 0.666667 |
22 | BGC BGC BGC | 0.4375 | 0.702128 |
23 | BGC BGC BGC BGC BGC BGC | 0.4375 | 0.702128 |
24 | GLC BGC BGC BGC | 0.4375 | 0.702128 |
25 | 5QP | 0.4375 | 0.632653 |
26 | BGC BGC BGC BGC BGC | 0.4375 | 0.702128 |
27 | BGC BGC BGC BGC BGC BGC BGC | 0.4375 | 0.702128 |
28 | G3I | 0.43662 | 0.8 |
29 | G2I | 0.43662 | 0.8 |
30 | MBG GAL | 0.435484 | 0.673469 |
31 | 7D1 MAN | 0.428571 | 0.64 |
32 | NAG BMA | 0.428571 | 0.759259 |
33 | MAN MAN BMA | 0.428571 | 0.673469 |
34 | MAN BMA BMA | 0.426471 | 0.673469 |
35 | MGC GAL | 0.426471 | 0.807692 |
36 | A2G GAL | 0.426471 | 0.84 |
37 | GLC GLC GLC GLC BGC GLC GLC | 0.421875 | 0.702128 |
38 | MAN BMA BMA BMA BMA BMA BMA | 0.421875 | 0.702128 |
39 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.421875 | 0.702128 |
40 | BMA MAN MAN | 0.42029 | 0.702128 |
41 | ABL | 0.41791 | 0.843137 |
42 | GCU BGC | 0.41791 | 0.6875 |
43 | CJX | 0.41791 | 0.788462 |
44 | GLC 7LQ | 0.41791 | 0.632653 |
45 | FRU BMA | 0.415385 | 0.615385 |
46 | MAN IPD MAN | 0.415385 | 0.618182 |
47 | GLC EDO GLC | 0.409091 | 0.673469 |
48 | G2F BGC BGC BGC BGC BGC | 0.408451 | 0.634615 |
49 | MMA MAN MAN | 0.408451 | 0.673469 |
50 | TVD GAL | 0.405797 | 0.777778 |
51 | NAG GAL | 0.405797 | 0.84 |
52 | AHR FUB | 0.403509 | 0.612245 |
53 | LG9 GLC | 0.4 | 0.677966 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DGO MAN | 0.9715 |
2 | MAN IFM | 0.9713 |
3 | ZEL MAN | 0.9461 |
4 | MMA MAN | 0.9387 |
5 | GLC GLC | 0.9332 |
6 | MAN GLC | 0.9296 |
7 | DGO Z61 | 0.9246 |
8 | XMM | 0.9230 |
9 | BGC GLC | 0.9137 |
10 | FRU GLC | 0.9078 |
11 | MAN MVL | 0.9027 |
12 | GMH GMH | 0.9019 |
13 | GLA BEZ | 0.8943 |
14 | RAM GAD | 0.8906 |
15 | OTU | 0.8905 |
16 | Z4R MAN | 0.8896 |
17 | IFM BMA | 0.8863 |
18 | BMA IFM | 0.8863 |
19 | 2M8 | 0.8841 |
20 | MYG | 0.8732 |
21 | MTP | 0.8731 |
22 | 26A | 0.8716 |
23 | ADN | 0.8683 |
24 | XYA | 0.8682 |
25 | XYP GCU | 0.8647 |
26 | AD3 | 0.8645 |
27 | MMA LDY | 0.8626 |
28 | BMA BMA | 0.8613 |
29 | 5AD | 0.8610 |
30 | NOS | 0.8558 |
31 | TBN | 0.8526 |
This union binding pocket(no: 1) in the query (biounit: 5lyr.bio1) has 30 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |