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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 | RR7 GLC | 1 | 1 |
2 | BGC OXZ | 0.589286 | 0.708333 |
3 | BQZ | 0.571429 | 0.857143 |
4 | BGC OXZ BGC | 0.53125 | 0.729167 |
5 | BGC GLA GAL | 0.518519 | 0.942857 |
6 | 5QP | 0.517241 | 0.888889 |
7 | GAL GLA | 0.509091 | 0.942857 |
8 | MBG GAL | 0.491228 | 0.891892 |
9 | MGL GAL | 0.491228 | 0.891892 |
10 | MBG GLA | 0.490909 | 0.891892 |
11 | 9MR | 0.483333 | 0.790698 |
12 | IFM BGC | 0.483333 | 0.755556 |
13 | MAN BMA BMA | 0.47619 | 0.944444 |
14 | NOJ GLC | 0.47541 | 0.702128 |
15 | GLC DMJ | 0.47541 | 0.702128 |
16 | GLC GLC GLC GLC BGC GLC GLC | 0.474576 | 0.942857 |
17 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.474576 | 0.942857 |
18 | MAN BMA BMA BMA BMA BMA BMA | 0.474576 | 0.942857 |
19 | GCU BGC | 0.467742 | 0.864865 |
20 | CJX | 0.467742 | 0.723404 |
21 | BGC BGC BGC BGC BGC | 0.466667 | 0.942857 |
22 | BGC BGC BGC | 0.466667 | 0.942857 |
23 | BGC BGC BGC BGC BGC BGC BGC | 0.466667 | 0.942857 |
24 | GLC BGC BGC BGC | 0.466667 | 0.942857 |
25 | BGC BGC BGC BGC BGC BGC | 0.466667 | 0.942857 |
26 | RZM | 0.465517 | 0.733333 |
27 | GDQ GLC | 0.460317 | 0.673469 |
28 | GLC EDO GLC | 0.459016 | 0.944444 |
29 | 7D1 MAN | 0.457627 | 0.891892 |
30 | MAN GLA ABE | 0.457143 | 0.918919 |
31 | GLC BGC FUC GAL | 0.454545 | 0.916667 |
32 | BGC FUC GAL | 0.454545 | 0.916667 |
33 | MAN MNM | 0.451613 | 0.673469 |
34 | NOY BGC | 0.451613 | 0.673469 |
35 | FUC GAL | 0.45 | 0.888889 |
36 | MAN MAN | 0.448276 | 0.888889 |
37 | ABL | 0.444444 | 0.708333 |
38 | BGC XGP | 0.444444 | 0.75 |
39 | FRU BMA | 0.442623 | 0.894737 |
40 | MAN IPD MAN | 0.442623 | 0.75 |
41 | G2I | 0.441176 | 0.813953 |
42 | G3I | 0.441176 | 0.813953 |
43 | GAL FUC GAL | 0.439394 | 0.916667 |
44 | GPM GLC | 0.4375 | 0.772727 |
45 | BGC GAL GLA | 0.4375 | 0.942857 |
46 | MAN G63 | 0.4375 | 0.66 |
47 | MMA GLA ABE | 0.43662 | 0.871795 |
48 | IPD MAN | 0.435484 | 0.704545 |
49 | AHR FUB | 0.433962 | 0.810811 |
50 | G2F BGC BGC BGC BGC BGC | 0.432836 | 0.825 |
51 | MAN MAN BMA | 0.432836 | 0.944444 |
52 | G2F SHG BGC BGC | 0.430769 | 0.846154 |
53 | TVD GAL | 0.430769 | 0.647059 |
54 | BGC 5VQ GAL GLA | 0.430769 | 0.846154 |
55 | NAG GAL | 0.430769 | 0.702128 |
56 | BMA MAN MAN | 0.424242 | 0.942857 |
57 | GLC 7LQ | 0.421875 | 0.837838 |
58 | DGO MAN | 0.419355 | 0.864865 |
59 | CK0 | 0.414286 | 0.723404 |
60 | ISX | 0.412698 | 0.767442 |
61 | MBG | 0.411765 | 0.810811 |
62 | AMG | 0.411765 | 0.810811 |
63 | GYP | 0.411765 | 0.810811 |
64 | GAL SO4 GAL | 0.411765 | 0.634615 |
65 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.411765 | 0.942857 |
66 | MMA MAN MAN | 0.411765 | 0.891892 |
67 | MMA | 0.411765 | 0.810811 |
68 | NAG BMA | 0.411765 | 0.66 |
69 | GLC NBU GAL GLA | 0.411765 | 0.804878 |
70 | GLC G6P | 0.409836 | 0.75 |
71 | MGC GAL | 0.409091 | 0.673469 |
72 | BDF GLC | 0.409091 | 0.918919 |
73 | A2G GAL | 0.409091 | 0.702128 |
74 | XYS GLC GLC | 0.408451 | 0.916667 |
75 | GLC IFM | 0.40625 | 0.733333 |
76 | MAN MAN MAN GLC | 0.405797 | 0.942857 |
77 | FRU BGC BGC BGC | 0.405797 | 0.921053 |
78 | MAN NAG GAL | 0.405405 | 0.702128 |
79 | LG9 GLC | 0.402985 | 0.611111 |
80 | LSE | 0.402778 | 0.66 |
81 | DMU | 0.4 | 0.790698 |
82 | BGC BGC XYS GAL | 0.4 | 1 |
83 | GAL NAG GAL | 0.4 | 0.702128 |
84 | LMU | 0.4 | 0.790698 |
85 | LMT | 0.4 | 0.790698 |
86 | UMQ | 0.4 | 0.790698 |
87 | NGT GAL | 0.4 | 0.634615 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | BGC GLC | 0.9809 |
2 | GLC GLC | 0.9769 |
3 | BGC BGC | 0.9644 |
4 | FRU GLC | 0.9506 |
5 | MYG | 0.9352 |
6 | TW7 GLC | 0.9306 |
7 | GLC BGC | 0.9279 |
8 | XXX | 0.9264 |
9 | SGC GLC | 0.9213 |
10 | MA1 GLC | 0.9115 |
11 | GLF B8D | 0.9090 |
12 | DGO Z61 | 0.9057 |
13 | XYP GCU | 0.9019 |
14 | MAN GLC | 0.8972 |
15 | MAN IFM | 0.8966 |
16 | GAL FUC | 0.8917 |
17 | GAT | 0.8900 |
18 | GAL GAL | 0.8878 |
19 | IFM BMA | 0.8878 |
20 | ADN | 0.8862 |
21 | BMA BMA | 0.8853 |
22 | BGC GAL | 0.8851 |
23 | MMA MAN | 0.8831 |
24 | MG7 | 0.8804 |
25 | BGC BMA | 0.8784 |
26 | MA3 MA2 | 0.8772 |
27 | BEM BEM | 0.8771 |
28 | DIF | 0.8762 |
29 | UA2 | 0.8758 |
30 | XMM | 0.8747 |
31 | FMB | 0.8747 |
32 | AD3 | 0.8744 |
33 | TBN | 0.8741 |
34 | IMH | 0.8731 |
35 | BMA BGC | 0.8717 |
36 | EKH | 0.8708 |
37 | GMP | 0.8682 |
38 | NOS | 0.8676 |
39 | FTU | 0.8662 |
40 | GCS GCS | 0.8658 |
41 | GLC FRU | 0.8636 |
42 | GLA GLA | 0.8608 |
43 | 9DI | 0.8607 |
44 | 145 | 0.8590 |
45 | NBZ GLA | 0.8564 |
46 | BGC Z9D | 0.8562 |
47 | 26A | 0.8561 |
48 | 2FA | 0.8556 |
49 | 6CR | 0.8550 |
This union binding pocket(no: 1) in the query (biounit: 1fa2.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |