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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 2 families. | |||||
1 | 1BTC | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
2 | 1WDS | - | BGC GLC | n/a | n/a |
3 | 1Q6D | Kd = 0.46 mM | GLC GLC | n/a | n/a |
4 | 1BYC | - | BGC GLC GLC GLC | n/a | n/a |
5 | 1V3H | - | GLC GLC GLC GLC GLC | n/a | n/a |
6 | 1BYD | - | RR7 GLC | n/a | n/a |
7 | 1Q6E | Kd = 2.4 mM | GLC GLC | n/a | n/a |
8 | 1BFN | Ki = 1.64 mM | GLC GLC GLC GLC GLC GLC GLC | n/a | n/a |
9 | 1WDQ | Kd = 10.45 mM | GLC GLC | n/a | n/a |
10 | 1BYB | - | GLC GLC GLC GLC | n/a | n/a |
11 | 1WDR | Kd = 3.05 mM | GLC GLC GLC GLC | n/a | n/a |
12 | 1Q6C | Kd = 5.1 mM | GLC GLC | n/a | n/a |
13 | 1V3I | - | BGC GLC | n/a | n/a |
14 | 1Q6F | - | GLC BGC | n/a | n/a |
15 | 1Q6G | Kd = 8.8 mM | GLC GLC | n/a | n/a |
16 | 2XFF | - | BGC GLC AC1 | n/a | n/a |
17 | 2XGI | - | J5B | C10 H20 O7 | C[C@H](CCO.... |
18 | 2XFY | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
19 | 2XG9 | Ki = 70 uM | NOJ GLC | n/a | n/a |
20 | 1B1Y | - | BGC GLC | n/a | n/a |
21 | 5WQU | - | GLC GLC GLC GLC | n/a | n/a |
22 | 1FA2 | - | RR7 GLC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1BTC | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
2 | 1WDS | - | BGC GLC | n/a | n/a |
3 | 1Q6D | Kd = 0.46 mM | GLC GLC | n/a | n/a |
4 | 1BYC | - | BGC GLC GLC GLC | n/a | n/a |
5 | 1V3H | - | GLC GLC GLC GLC GLC | n/a | n/a |
6 | 1BYD | - | RR7 GLC | n/a | n/a |
7 | 1Q6E | Kd = 2.4 mM | GLC GLC | n/a | n/a |
8 | 1BFN | Ki = 1.64 mM | GLC GLC GLC GLC GLC GLC GLC | n/a | n/a |
9 | 1WDQ | Kd = 10.45 mM | GLC GLC | n/a | n/a |
10 | 1BYB | - | GLC GLC GLC GLC | n/a | n/a |
11 | 1WDR | Kd = 3.05 mM | GLC GLC GLC GLC | n/a | n/a |
12 | 1Q6C | Kd = 5.1 mM | GLC GLC | n/a | n/a |
13 | 1V3I | - | BGC GLC | n/a | n/a |
14 | 1Q6F | - | GLC BGC | n/a | n/a |
15 | 1Q6G | Kd = 8.8 mM | GLC GLC | n/a | n/a |
16 | 2XFF | - | BGC GLC AC1 | n/a | n/a |
17 | 2XGI | - | J5B | C10 H20 O7 | C[C@H](CCO.... |
18 | 2XFY | - | GLC GLC GLC GLC GLC GLC | n/a | n/a |
19 | 2XG9 | Ki = 70 uM | NOJ GLC | n/a | n/a |
20 | 1B1Y | - | BGC GLC | n/a | n/a |
21 | 5WQU | - | GLC GLC GLC GLC | n/a | n/a |
22 | 1FA2 | - | RR7 GLC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NOJ GLC | 1 | 1 |
2 | GLC DMJ | 0.62069 | 1 |
3 | MAN G63 | 0.548387 | 0.9375 |
4 | NAG NOJ NAG NAG | 0.533333 | 0.803571 |
5 | NAG NOJ NAG | 0.533333 | 0.818182 |
6 | IFM BGC | 0.52459 | 0.893617 |
7 | MAN MNM | 0.516129 | 0.84 |
8 | NOY BGC | 0.516129 | 0.84 |
9 | NOK GAL | 0.507246 | 0.833333 |
10 | BQZ | 0.5 | 0.666667 |
11 | NOJ BGC | 0.492063 | 1 |
12 | 5QP | 0.483871 | 0.733333 |
13 | RR7 GLC | 0.47541 | 0.702128 |
14 | GAL GLA | 0.474576 | 0.695652 |
15 | MAN BMA BMA | 0.469697 | 0.73913 |
16 | MAN MAN | 0.466667 | 0.733333 |
17 | EDG AHR | 0.466667 | 0.875 |
18 | CJX | 0.461538 | 0.857143 |
19 | RZM | 0.459016 | 0.833333 |
20 | MBG GLA | 0.457627 | 0.666667 |
21 | BGC GLA GAL | 0.457627 | 0.695652 |
22 | 9MR | 0.453125 | 0.851064 |
23 | BGC OXZ | 0.453125 | 0.769231 |
24 | GLC IFM | 0.446154 | 0.87234 |
25 | BGC BGC BGC | 0.4375 | 0.695652 |
26 | GLC BGC BGC BGC | 0.4375 | 0.695652 |
27 | BGC BGC BGC BGC BGC BGC BGC | 0.4375 | 0.695652 |
28 | BGC BGC BGC BGC BGC BGC | 0.4375 | 0.695652 |
29 | BGC BGC BGC BGC BGC | 0.4375 | 0.695652 |
30 | MGL GAL | 0.435484 | 0.666667 |
31 | MBG GAL | 0.435484 | 0.666667 |
32 | GDQ GLC | 0.432836 | 0.877551 |
33 | MAN MAN BMA | 0.428571 | 0.73913 |
34 | NAG BMA | 0.428571 | 0.788462 |
35 | AHR FUB | 0.428571 | 0.604167 |
36 | 7D1 MAN | 0.428571 | 0.702128 |
37 | FUC GAL | 0.421875 | 0.659574 |
38 | GLC GLC GLC GLC BGC GLC GLC | 0.421875 | 0.695652 |
39 | MAN BMA BMA BMA BMA BMA BMA | 0.421875 | 0.695652 |
40 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.421875 | 0.695652 |
41 | ABL | 0.41791 | 0.803922 |
42 | GCU BGC | 0.41791 | 0.680851 |
43 | IDC | 0.416667 | 0.639344 |
44 | MVL BMA | 0.416667 | 0.639344 |
45 | BGC BGC XYS GAL | 0.415584 | 0.702128 |
46 | MAN IPD MAN | 0.415385 | 0.611111 |
47 | FRU BMA | 0.415385 | 0.64 |
48 | CK0 | 0.410959 | 0.857143 |
49 | GLC GLC GLC | 0.410959 | 0.73913 |
50 | GLC EDO GLC | 0.409091 | 0.702128 |
51 | ISX | 0.409091 | 0.829787 |
52 | G2F BGC BGC BGC BGC BGC | 0.408451 | 0.66 |
53 | BDF GLC | 0.405797 | 0.723404 |
54 | NDG GAL | 0.4 | 0.603175 |
55 | LG9 GLC | 0.4 | 0.796296 |
56 | BMA MAN MAN | 0.4 | 0.695652 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GLC | 0.9866 |
2 | BGC GLC | 0.9825 |
3 | GLC BGC | 0.9792 |
4 | BGC BGC | 0.9654 |
5 | GLF B8D | 0.9569 |
6 | TW7 GLC | 0.9442 |
7 | FRU GLC | 0.9312 |
8 | GLC 7LQ | 0.9218 |
9 | MA1 GLC | 0.9203 |
10 | GLC Z9N | 0.9135 |
11 | SGC GLC | 0.9119 |
12 | XYP GCU | 0.9084 |
13 | DGO MAN | 0.9075 |
14 | MYG | 0.9001 |
15 | DGO Z61 | 0.8995 |
16 | MAN IFM | 0.8993 |
17 | XMM | 0.8953 |
18 | MAN GLC | 0.8941 |
19 | GLA GLA | 0.8838 |
20 | MMA MAN | 0.8731 |
21 | MHD GAL | 0.8594 |
22 | MA3 MA2 | 0.8568 |
This union binding pocket(no: 1) in the query (biounit: 2xg9.bio1) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |