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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 | 2ZGN | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
2 | 3M3O | Kd = 250.63 uM | A2G NPO GAL | n/a | n/a |
3 | 3M3E | Kd = 37.45 uM | A2G NPO GAL | n/a | n/a |
4 | 3M3Q | - | BGC GAL SIA NGA GAL | n/a | n/a |
5 | 3AFK | Kd = 251.89 uM | A2G THR GAL | n/a | n/a |
6 | 3M3C | Kd = 86.21 uM | A2G NPO GAL | n/a | n/a |
7 | 2ZGM | - | BGC GAL | n/a | n/a |
8 | 2ZGO | - | BGC GAL | n/a | n/a |
9 | 3WG4 | - | NAG GAL FUC A2G | n/a | n/a |
10 | 3WG3 | - | NAG GAL FUC A2G | n/a | n/a |
11 | 3WG1 | - | BGC GAL | n/a | n/a |
12 | 1WW4 | - | BGC GAL SIA | n/a | n/a |
13 | 1WW6 | - | BGC GAL | n/a | n/a |
14 | 1WW5 | - | BGC SGA | 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 | 2ZGN | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
2 | 3M3O | Kd = 250.63 uM | A2G NPO GAL | n/a | n/a |
3 | 3M3E | Kd = 37.45 uM | A2G NPO GAL | n/a | n/a |
4 | 3M3Q | - | BGC GAL SIA NGA GAL | n/a | n/a |
5 | 3AFK | Kd = 251.89 uM | A2G THR GAL | n/a | n/a |
6 | 3M3C | Kd = 86.21 uM | A2G NPO GAL | n/a | n/a |
7 | 2ZGM | - | BGC GAL | n/a | n/a |
8 | 2ZGO | - | BGC GAL | n/a | n/a |
9 | 3WG4 | - | NAG GAL FUC A2G | n/a | n/a |
10 | 3WG3 | - | NAG GAL FUC A2G | n/a | n/a |
11 | 3WG1 | - | BGC GAL | n/a | n/a |
12 | 1WW4 | - | BGC GAL SIA | n/a | n/a |
13 | 1WW6 | - | BGC GAL | n/a | n/a |
14 | 1WW5 | - | BGC SGA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BGC GAL SIA | 1 | 1 |
2 | BGC GAL NAG GAL SIA | 0.82243 | 0.962264 |
3 | NAG GAL 5N6 | 0.719626 | 0.944444 |
4 | NAG GAL NAG GAL SIA | 0.716814 | 0.962264 |
5 | GAL NAG GAL SIA | 0.694444 | 0.962264 |
6 | BGC GAL SIA NGA GAL | 0.649573 | 0.943396 |
7 | GAL NGA GAL SIA | 0.648649 | 0.943396 |
8 | BGC GAL SIA NAG | 0.634783 | 0.943396 |
9 | BGC GAL GLA NGA GAL SIA | 0.621849 | 0.943396 |
10 | BGC GAL SIA SIA | 0.615385 | 0.925926 |
11 | NAG GAL SIA SIA | 0.614035 | 0.962264 |
12 | BGC GAL SIA NGA GAL SIA | 0.613445 | 0.943396 |
13 | GAL SIA | 0.608247 | 0.980392 |
14 | GLC GAL NGC | 0.594595 | 0.942308 |
15 | SIA GAL NGA GAL | 0.591304 | 0.943396 |
16 | BGC GAL SIA NGA GAL FUC | 0.581395 | 0.943396 |
17 | NAG GAL SIA | 0.576577 | 0.943396 |
18 | GAL NGA GAL SIA SIA | 0.576 | 0.925926 |
19 | NDG GAL SIA SIA | 0.57265 | 0.927273 |
20 | C4W NAG FUC BMA MAN NAG GAL SIA | 0.568345 | 0.836066 |
21 | BGC GAL SIA NGA SIA | 0.565891 | 0.925926 |
22 | GAL SIA NGA | 0.557522 | 0.943396 |
23 | NAG SIA | 0.542857 | 0.892857 |
24 | GAL SIA NGA GAL | 0.537815 | 0.962264 |
25 | GAL SIA NGA GAL SIA | 0.537815 | 0.943396 |
26 | NAG GAL NGC | 0.529412 | 0.943396 |
27 | NGS GAL SIA | 0.528926 | 0.746269 |
28 | A2G GAL SIA | 0.526316 | 0.943396 |
29 | NAG FUC GAL SIA | 0.520325 | 0.943396 |
30 | C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG | 0.519737 | 0.836066 |
31 | 2FG SIA | 0.514019 | 0.909091 |
32 | SIA CMO | 0.5 | 0.851852 |
33 | GAL NAG FUC GAL SIA | 0.496124 | 0.943396 |
34 | NAG 2FG SIA | 0.495798 | 0.877193 |
35 | NGS FUC GLA SIA | 0.492424 | 0.746269 |
36 | NGA GAL SIA | 0.487603 | 0.924528 |
37 | GAL SIA NGA GAL SIA SIA | 0.484848 | 0.925926 |
38 | MAG FUC GAL SIA | 0.484127 | 0.907407 |
39 | NAG GAL PKM | 0.483607 | 0.925926 |
40 | GAL SIA SIA | 0.478632 | 0.925926 |
41 | GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ | 0.460432 | 0.927273 |
42 | GAL 5N6 | 0.45614 | 0.943396 |
43 | BGC 16C GAL SIA | 0.452055 | 0.822581 |
44 | BGC GAL NGA GAL | 0.447619 | 0.882353 |
45 | MNA | 0.443299 | 0.833333 |
46 | GLC GLC FRU | 0.442308 | 0.648148 |
47 | BGC GAL NAG GAL | 0.439252 | 0.882353 |
48 | MBG NGC | 0.438596 | 0.924528 |
49 | BGC GAL NGA | 0.436893 | 0.882353 |
50 | SIA SIA | 0.436364 | 0.907407 |
51 | BGC 18C GAL SIA | 0.436242 | 0.822581 |
52 | WIA SIA | 0.433628 | 0.910714 |
53 | SLB SIA SIA SIA SIA | 0.432432 | 0.907407 |
54 | SLB SIA SIA SIA | 0.432432 | 0.907407 |
55 | SIA SIA SIA SIA SIA SIA SIA | 0.432432 | 0.907407 |
56 | SLB SIA SIA | 0.432432 | 0.907407 |
57 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.430464 | 0.793651 |
58 | NGA POL GAL NGC AZI | 0.42963 | 0.769231 |
59 | NAG G6S | 0.428571 | 0.738462 |
60 | SIA SIA SIA | 0.426087 | 0.907407 |
61 | CEQ BGC NGA GAL SIA SIA | 0.423841 | 0.784615 |
62 | BGC GAL NAG NAG GAL GAL | 0.423729 | 0.867925 |
63 | BGC GAL GLA NGA GAL | 0.423423 | 0.882353 |
64 | A2G THR ALA PRO GLY GLY NAG SIA | 0.418182 | 0.73913 |
65 | GLY PRO ALA THR PRO ALA PRO A2G SIA | 0.417722 | 0.73913 |
66 | BGC 18C GAL SIA NGA GAL | 0.417178 | 0.822581 |
67 | Z3Q GAL 5N6 | 0.414815 | 0.793651 |
68 | BGC GLC GLC | 0.41 | 0.647059 |
69 | BGC GAL NAG | 0.407407 | 0.882353 |
70 | C5P SIA | 0.404412 | 0.675676 |
71 | BGC GAL GLA NGA | 0.401786 | 0.882353 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GLA SIA | 1.0000 |
2 | BGC GAL SIA | 0.9909 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GLC GLA SIA | 0.9909 |
2 | GLC GAL SIA | 0.9887 |
This union binding pocket(no: 1) in the query (biounit: 1ww5.bio2) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1ww5.bio2) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |