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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 12 families. | |||||
1 | 1XC6 | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
2 | 3OGR | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
3 | 3OGV | - | PTQ | C14 H20 O5 S | c1ccc(cc1).... |
4 | 3OGS | - | IPT | C9 H18 O5 S | CC(C)S[C@H.... |
5 | 5MGC | - | GLC GAL GAL | n/a | n/a |
6 | 5MGD | - | GLC GAL GAL | n/a | n/a |
7 | 5JUV | - | GAL GAL | n/a | n/a |
8 | 5IHR | - | GLC GAL | n/a | n/a |
9 | 5IFT | - | GLC GAL | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 1XC6 | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
2 | 3OGR | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
3 | 3OGV | - | PTQ | C14 H20 O5 S | c1ccc(cc1).... |
4 | 3OGS | - | IPT | C9 H18 O5 S | CC(C)S[C@H.... |
5 | 5MGC | - | GLC GAL GAL | n/a | n/a |
6 | 5MGD | - | GLC GAL GAL | n/a | n/a |
7 | 5JUV | - | GAL GAL | n/a | n/a |
8 | 5IHR | - | GLC GAL | n/a | n/a |
9 | 5IFT | - | GLC GAL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BMA | 1 | 1 |
2 | MAN | 1 | 1 |
3 | BGC GAL | 1 | 1 |
4 | WOO | 1 | 1 |
5 | GLC GLC | 1 | 1 |
6 | GXL | 1 | 1 |
7 | GLA | 1 | 1 |
8 | GAL GAL | 1 | 1 |
9 | ALL | 1 | 1 |
10 | GAL | 1 | 1 |
11 | BGC | 1 | 1 |
12 | GLC | 1 | 1 |
13 | GIV | 1 | 1 |
14 | FUB | 0.653846 | 0.866667 |
15 | BDR | 0.653846 | 0.866667 |
16 | 32O | 0.653846 | 0.866667 |
17 | AHR | 0.653846 | 0.866667 |
18 | Z6J | 0.653846 | 0.866667 |
19 | RIB | 0.653846 | 0.866667 |
20 | BGC GLC GLC GLC GLC GLC | 0.488889 | 0.848485 |
21 | BGC GLC GLC GLC GLC | 0.488889 | 0.848485 |
22 | EMZ | 0.472222 | 0.794118 |
23 | M6P | 0.461538 | 0.675 |
24 | BGP | 0.461538 | 0.675 |
25 | BG6 | 0.461538 | 0.675 |
26 | G6P | 0.461538 | 0.675 |
27 | M6D | 0.461538 | 0.675 |
28 | A6P | 0.461538 | 0.675 |
29 | 2H5 | 0.457143 | 0.875 |
30 | X6X | 0.457143 | 0.777778 |
31 | GCS | 0.457143 | 0.777778 |
32 | SHG | 0.457143 | 0.875 |
33 | 1GN | 0.457143 | 0.777778 |
34 | 95Z | 0.457143 | 0.777778 |
35 | G2F | 0.457143 | 0.875 |
36 | GAF | 0.457143 | 0.875 |
37 | G3F | 0.457143 | 0.875 |
38 | 2FG | 0.457143 | 0.875 |
39 | PA1 | 0.457143 | 0.777778 |
40 | GAL GLA | 0.454545 | 0.848485 |
41 | SGC BGC | 0.444444 | 0.8 |
42 | 3MG | 0.444444 | 0.875 |
43 | ZB1 | 0.444444 | 0.875 |
44 | YIO | 0.441176 | 0.870968 |
45 | 2GS | 0.432432 | 0.875 |
46 | AHR AHR | 0.428571 | 0.764706 |
47 | GLF | 0.428571 | 0.84375 |
48 | FUC GAL | 0.416667 | 0.848485 |
49 | GLC GLC GLC GLC BGC GLC GLC | 0.416667 | 0.848485 |
50 | MAN BMA BMA BMA BMA BMA BMA | 0.416667 | 0.848485 |
51 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.416667 | 0.848485 |
52 | BGC BGC BGC | 0.408163 | 0.848485 |
53 | BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
54 | SGC SGC BGC | 0.408163 | 0.8 |
55 | GLC BGC BGC BGC | 0.408163 | 0.848485 |
56 | BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
57 | BGC BGC BGC BGC BGC BGC BGC | 0.408163 | 0.848485 |
58 | YIO GAL | 0.405405 | 0.771429 |
59 | NGA | 0.404762 | 0.7 |
60 | HSQ | 0.404762 | 0.7 |
61 | BM3 | 0.404762 | 0.7 |
62 | NDG | 0.404762 | 0.7 |
63 | A2G | 0.404762 | 0.7 |
64 | NAG | 0.404762 | 0.7 |
65 | AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
66 | AHR AHR AHR AHR | 0.4 | 0.764706 |
67 | AHR AHR AHR AHR AHR AHR | 0.4 | 0.764706 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MBG GAL | 0.9401 |
2 | MBG GLA | 0.9392 |
3 | GAA | 0.9217 |
4 | F9W | 0.9134 |
5 | GLC GAL | 0.9109 |
6 | BGC BGC | 0.8983 |
7 | FRU GAL | 0.8948 |
8 | GLA BEZ | 0.8946 |
9 | NDG GAL | 0.8924 |
10 | 7D0 | 0.8920 |
11 | A2G GAL | 0.8913 |
12 | RR7 GLC | 0.8878 |
13 | GDQ GLC | 0.8867 |
14 | GLA GLA | 0.8856 |
15 | NAG GAL | 0.8852 |
16 | NGA GAL | 0.8844 |
17 | BGC GLC | 0.8832 |
18 | MGC GAL | 0.8824 |
19 | GAL NGT | 0.8821 |
20 | GAL NGA | 0.8811 |
21 | 145 | 0.8803 |
22 | NGT GAL | 0.8799 |
23 | GLC IFM | 0.8785 |
24 | NOY BGC | 0.8769 |
25 | GLC 7LQ | 0.8767 |
26 | GLC BGC | 0.8718 |
27 | IFM BMA | 0.8663 |
28 | LAM | 0.8663 |
29 | SGC GLC | 0.8659 |
30 | ABL | 0.8631 |
31 | GMP | 0.8615 |
32 | PA1 GCS | 0.8608 |
33 | 8P3 | 0.8608 |
34 | MAN IFM | 0.8602 |
35 | IXM | 0.8587 |
36 | 47N | 0.8578 |
37 | IFM BGC | 0.8575 |
38 | ZT2 | 0.8567 |
39 | NOK GAL | 0.8559 |
40 | XYP GCU | 0.8559 |
41 | 113 | 0.8558 |
42 | GAT | 0.8556 |
43 | 7D1 MAN | 0.8541 |
44 | TWJ SDY | 0.8538 |
This union binding pocket(no: 1) in the query (biounit: 5mgd.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |