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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 44 families. | |||||
1 | 5CPZ | - | GAL NGA GAL SIA SIA | n/a | n/a |
2 | 5CPW | - | GAL SIA NGA GAL SIA SIA | n/a | n/a |
3 | 5CQ0 | - | GAL NGA GAL SIA | n/a | n/a |
4 | 5CPY | - | GAL NGA GAL SIA | n/a | n/a |
5 | 1VPS | - | NAG GAL SIA SIA | n/a | n/a |
6 | 5CPX | - | NAG GAL SIA | n/a | n/a |
7 | 4U60 | - | BGC GAL SIA NGA GAL | n/a | n/a |
8 | 6HKV | - | GXB | C92 H139 N19 O39 | CC(=O)NCCN.... |
9 | 4U62 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
10 | 4U61 | - | GAL SIA | n/a | n/a |
11 | 6HKU | - | GLC GAL SIA | n/a | n/a |
12 | 4POR | - | BGC GAL SIA | n/a | n/a |
13 | 4POS | - | NAG GAL SIA | n/a | n/a |
14 | 4POT | - | NAG GAL NGC | n/a | n/a |
15 | 4MJ0 | - | SIA SIA | n/a | n/a |
16 | 3NXD | - | BGC GAL NAG GAL SIA | n/a | n/a |
17 | 4X16 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
18 | 4X15 | - | BGC GAL SIA NGA | n/a | n/a |
19 | 4X10 | - | GAL SIA NGA | n/a | n/a |
20 | 4X0Z | - | BGC GAL SIA NGA GAL | n/a | n/a |
21 | 4X17 | - | SIA SIA | n/a | n/a |
22 | 4JCF | - | NAG GAL SIA | n/a | n/a |
23 | 4X12 | - | SIA SIA | n/a | n/a |
24 | 4X14 | - | BGC GAL SIA NGA GAL | n/a | n/a |
25 | 4X11 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
26 | 4X13 | - | BGC GAL NAG GAL SIA | n/a | n/a |
27 | 4MBY | - | GAL SIA | n/a | n/a |
28 | 4MBZ | - | GAL SIA | n/a | n/a |
29 | 4FMI | - | NAG GAL SIA | n/a | n/a |
30 | 4FMJ | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
31 | 4FMH | - | GAL SIA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 36 families. | |||||
1 | 5CPZ | - | GAL NGA GAL SIA SIA | n/a | n/a |
2 | 5CPW | - | GAL SIA NGA GAL SIA SIA | n/a | n/a |
3 | 5CQ0 | - | GAL NGA GAL SIA | n/a | n/a |
4 | 5CPY | - | GAL NGA GAL SIA | n/a | n/a |
5 | 1VPS | - | NAG GAL SIA SIA | n/a | n/a |
6 | 5CPX | - | NAG GAL SIA | n/a | n/a |
7 | 4U60 | - | BGC GAL SIA NGA GAL | n/a | n/a |
8 | 6HKV | - | GXB | C92 H139 N19 O39 | CC(=O)NCCN.... |
9 | 4U62 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
10 | 4U61 | - | GAL SIA | n/a | n/a |
11 | 6HKU | - | GLC GAL SIA | n/a | n/a |
12 | 3BWR | Kd ~ 3 mM | BGC GAL SIA NGA GAL | n/a | n/a |
13 | 4POR | - | BGC GAL SIA | n/a | n/a |
14 | 4POS | - | NAG GAL SIA | n/a | n/a |
15 | 4POT | - | NAG GAL NGC | n/a | n/a |
16 | 6Y5Y | - | BGC GAL SIA | n/a | n/a |
17 | 4MJ0 | - | SIA SIA | n/a | n/a |
18 | 6Y64 | - | GAL SIA | n/a | n/a |
19 | 3NXD | - | BGC GAL NAG GAL SIA | n/a | n/a |
20 | 4X16 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
21 | 4X15 | - | BGC GAL SIA NGA | n/a | n/a |
22 | 4X10 | - | GAL SIA NGA | n/a | n/a |
23 | 4X0Z | - | BGC GAL SIA NGA GAL | n/a | n/a |
24 | 4X17 | - | SIA SIA | n/a | n/a |
25 | 4JCF | - | NAG GAL SIA | n/a | n/a |
26 | 4X12 | - | SIA SIA | n/a | n/a |
27 | 4X14 | - | BGC GAL SIA NGA GAL | n/a | n/a |
28 | 4X11 | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
29 | 4X13 | - | BGC GAL NAG GAL SIA | n/a | n/a |
30 | 4MBY | - | GAL SIA | n/a | n/a |
31 | 4MBZ | - | GAL SIA | n/a | n/a |
32 | 4FMI | - | NAG GAL SIA | n/a | n/a |
33 | 4FMJ | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
34 | 4FMH | - | GAL SIA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SIA SIA | 1 | 1 |
2 | SLB SIA SIA | 0.985915 | 1 |
3 | SLB SIA SIA SIA SIA | 0.985915 | 1 |
4 | SIA SIA SIA SIA SIA SIA SIA | 0.985915 | 1 |
5 | SLB SIA SIA SIA | 0.985915 | 1 |
6 | SIA SIA SIA | 0.717647 | 1 |
7 | GAL SIA SIA | 0.648936 | 0.981132 |
8 | SIA CMO | 0.64 | 0.87037 |
9 | SIA | 0.565789 | 0.826923 |
10 | SLB | 0.565789 | 0.826923 |
11 | BGC GAL SIA SIA | 0.554545 | 0.981132 |
12 | MNA | 0.544304 | 0.851852 |
13 | GAL SIA NGA GAL SIA SIA | 0.521368 | 0.981132 |
14 | GAL NGA GAL SIA SIA | 0.516949 | 0.981132 |
15 | GAL SIA | 0.516484 | 0.888889 |
16 | 2FG SIA | 0.5 | 0.859649 |
17 | BGC GAL SIA NGA SIA | 0.495935 | 0.981132 |
18 | NAG SIA | 0.484536 | 0.910714 |
19 | 42D | 0.464286 | 0.8 |
20 | 18D | 0.464286 | 0.796296 |
21 | CNP | 0.45977 | 0.767857 |
22 | MUS | 0.456311 | 0.79661 |
23 | GAL SIA NGA | 0.449541 | 0.962264 |
24 | CEQ BGC NGA GAL SIA SIA | 0.448529 | 0.8 |
25 | NGA GAL SIA | 0.446429 | 0.980769 |
26 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.445255 | 0.83871 |
27 | A2G GAL SIA | 0.444444 | 0.962264 |
28 | NGC | 0.440476 | 0.811321 |
29 | NGE | 0.440476 | 0.811321 |
30 | NAG GAL SIA | 0.440367 | 0.962264 |
31 | MN0 | 0.436782 | 0.818182 |
32 | BGC GAL SIA | 0.436364 | 0.907407 |
33 | NAG 2FG SIA | 0.428571 | 0.894737 |
34 | GAL 5N6 | 0.423077 | 0.925926 |
35 | SIA GAL NGA GAL | 0.422414 | 0.962264 |
36 | GAL SIA NGA GAL SIA | 0.422414 | 0.962264 |
37 | MAG FUC GAL SIA | 0.420168 | 0.962264 |
38 | NAG FUC GAL SIA | 0.420168 | 0.962264 |
39 | SID | 0.417582 | 0.785714 |
40 | MBG NGC | 0.417476 | 0.907407 |
41 | NGS GAL SIA | 0.415254 | 0.761194 |
42 | WIA SIA | 0.411765 | 0.862069 |
43 | GAL NAG GAL SIA | 0.410256 | 0.944444 |
44 | GAL SIA NGA GAL | 0.410256 | 0.944444 |
45 | GAL NGA GAL SIA | 0.410256 | 0.962264 |
46 | NXD | 0.408602 | 0.793103 |
47 | NDG GAL SIA SIA | 0.40678 | 0.910714 |
48 | NAG GAL SIA SIA | 0.40678 | 0.944444 |
49 | C5P SIA | 0.406504 | 0.666667 |
50 | 425 | 0.405405 | 0.662338 |
51 | NAG GAL NGC | 0.401709 | 0.925926 |
52 | GAL NAG FUC GAL SIA | 0.4 | 0.962264 |
53 | 79J | 0.4 | 0.849057 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | BGC GAL SIA SIA | 1 | 1 |
2 | GAL NGA GAL SIA SIA | 0.909091 | 1 |
3 | GAL SIA NGA GAL SIA SIA | 0.786325 | 1 |
4 | GAL NGA GAL SIA | 0.781818 | 0.981132 |
5 | BGC GAL SIA NGA SIA | 0.77686 | 1 |
6 | GAL SIA SIA | 0.754717 | 1 |
7 | GLC GAL NGC | 0.743119 | 0.907407 |
8 | BGC GAL SIA NGA GAL SIA | 0.737288 | 0.981132 |
9 | BGC GAL GLA NGA GAL SIA | 0.731092 | 0.981132 |
10 | NAG GAL SIA | 0.724771 | 0.981132 |
11 | GAL SIA NGA GAL SIA | 0.675214 | 0.981132 |
12 | BGC GAL SIA NGA GAL | 0.674797 | 0.981132 |
13 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.671533 | 0.854839 |
14 | A2G GAL SIA | 0.669643 | 0.981132 |
15 | NAG GAL NGC | 0.666667 | 0.944444 |
16 | BGC GAL SIA NAG | 0.661157 | 0.981132 |
17 | NGS GAL SIA | 0.65 | 0.776119 |
18 | NAG FUC GAL SIA | 0.639344 | 0.981132 |
19 | NGA GAL SIA | 0.635593 | 0.962264 |
20 | BGC GAL SIA NGA GAL FUC | 0.631579 | 0.981132 |
21 | GAL NAG FUC GAL SIA | 0.622047 | 0.981132 |
22 | BGC GAL SIA | 0.615385 | 0.925926 |
23 | NAG GAL SIA SIA | 0.614754 | 0.962963 |
24 | MAG FUC GAL SIA | 0.612903 | 0.944444 |
25 | SIA GAL NGA GAL | 0.606557 | 0.981132 |
26 | NDG GAL SIA SIA | 0.601626 | 0.928571 |
27 | CEQ BGC NGA GAL SIA SIA | 0.594406 | 0.815385 |
28 | NGS FUC GLA SIA | 0.590909 | 0.776119 |
29 | BGC GAL NAG GAL SIA | 0.587786 | 0.962963 |
30 | NAG GAL PKM | 0.577236 | 0.962963 |
31 | GAL SIA NGA | 0.575 | 0.981132 |
32 | SLB SIA SIA | 0.563636 | 0.981132 |
33 | SLB SIA SIA SIA SIA | 0.563636 | 0.981132 |
34 | SIA SIA SIA SIA SIA SIA SIA | 0.563636 | 0.981132 |
35 | SLB SIA SIA SIA | 0.563636 | 0.981132 |
36 | 2FG SIA | 0.5625 | 0.877193 |
37 | BGC 16C GAL SIA | 0.5625 | 0.854839 |
38 | SIA SIA | 0.554545 | 0.981132 |
39 | SIA SIA SIA | 0.552632 | 0.981132 |
40 | BGC 18C GAL SIA | 0.544218 | 0.854839 |
41 | GAL SIA NGA GAL | 0.543307 | 0.962963 |
42 | GAL 5N6 | 0.543103 | 0.944444 |
43 | NAG 2FG SIA | 0.540323 | 0.912281 |
44 | MBG NGC | 0.53913 | 0.890909 |
45 | NGA POL GAL NGC AZI | 0.537313 | 0.772727 |
46 | Z3Q GAL 5N6 | 0.533835 | 0.825397 |
47 | NAG GAL NAG GAL SIA | 0.510949 | 0.962963 |
48 | GAL NAG GAL SIA | 0.484848 | 0.962963 |
49 | BGC 18C GAL SIA NGA GAL | 0.461078 | 0.854839 |
50 | NAG GAL 5N6 | 0.459259 | 0.945455 |
51 | SIA CMO | 0.439252 | 0.854545 |
52 | GAL SIA | 0.432203 | 0.907407 |
53 | BGC GAL NAG | 0.410256 | 0.849057 |
54 | BGC GAL NAG GAL | 0.403361 | 0.849057 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GAL SIA SIA | 1 | 1 |
2 | BGC GAL SIA SIA | 0.754717 | 1 |
3 | GAL SIA NGA GAL SIA SIA | 0.723214 | 1 |
4 | GAL NGA GAL SIA SIA | 0.701754 | 1 |
5 | GAL 5N6 | 0.697917 | 0.944444 |
6 | 2FG SIA | 0.673684 | 0.877193 |
7 | SLB SIA SIA SIA | 0.659574 | 0.981132 |
8 | SIA SIA SIA SIA SIA SIA SIA | 0.659574 | 0.981132 |
9 | SLB SIA SIA SIA SIA | 0.659574 | 0.981132 |
10 | SLB SIA SIA | 0.659574 | 0.981132 |
11 | SIA SIA | 0.648936 | 0.981132 |
12 | A2G GAL SIA | 0.628571 | 0.981132 |
13 | SIA SIA SIA | 0.626263 | 0.981132 |
14 | BGC GAL SIA NGA SIA | 0.617886 | 1 |
15 | NAG GAL SIA | 0.607477 | 0.981132 |
16 | GAL SIA NGA GAL SIA | 0.607143 | 0.981132 |
17 | GAL NAG FUC GAL SIA | 0.596639 | 0.981132 |
18 | GAL SIA NGA | 0.587156 | 0.981132 |
19 | NGA GAL SIA | 0.580357 | 0.962264 |
20 | GAL NGA GAL SIA | 0.578947 | 0.981132 |
21 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.577778 | 0.854839 |
22 | NAG FUC GAL SIA | 0.57265 | 0.981132 |
23 | NGS GAL SIA | 0.568965 | 0.776119 |
24 | SIA GAL NGA GAL | 0.565217 | 0.981132 |
25 | MBG NGC | 0.563107 | 0.890909 |
26 | NAG 2FG SIA | 0.5625 | 0.912281 |
27 | NAG GAL SIA SIA | 0.560345 | 0.962963 |
28 | NAG GAL NGC | 0.556522 | 0.944444 |
29 | NDG GAL SIA SIA | 0.547009 | 0.928571 |
30 | MAG FUC GAL SIA | 0.546219 | 0.944444 |
31 | BGC GAL GLA NGA GAL SIA | 0.544715 | 0.981132 |
32 | NGS FUC GLA SIA | 0.539683 | 0.776119 |
33 | BGC GAL SIA NGA GAL SIA | 0.536585 | 0.981132 |
34 | CEQ BGC NGA GAL SIA SIA | 0.536232 | 0.815385 |
35 | GLC GAL NGC | 0.526316 | 0.907407 |
36 | SIA CMO | 0.516484 | 0.854545 |
37 | GAL SIA NGA GAL | 0.512605 | 0.962963 |
38 | BGC GAL SIA NAG | 0.504065 | 0.981132 |
39 | GAL NAG GAL SIA | 0.5 | 0.962963 |
40 | GAL SIA | 0.5 | 0.907407 |
41 | BGC GAL SIA NGA GAL | 0.496063 | 0.981132 |
42 | BGC GAL SIA NGA GAL FUC | 0.488889 | 0.981132 |
43 | NGA POL GAL NGC AZI | 0.484375 | 0.772727 |
44 | BGC GAL SIA | 0.478632 | 0.925926 |
45 | NAG GAL PKM | 0.471074 | 0.962963 |
46 | Z3Q GAL 5N6 | 0.46875 | 0.825397 |
47 | BGC 16C GAL SIA | 0.461538 | 0.854839 |
48 | MNA | 0.457447 | 0.836364 |
49 | BGC 18C GAL SIA | 0.455172 | 0.854839 |
50 | NAG SIA | 0.445455 | 0.928571 |
51 | BGC GAL NAG GAL SIA | 0.422222 | 0.962963 |
52 | NAG GAL NAG GAL SIA | 0.414815 | 0.962963 |
53 | SLB | 0.410526 | 0.811321 |
54 | SIA | 0.410526 | 0.811321 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SLB SIA | 0.8744 |
No: | Ligand | Similarity coefficient |
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No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 4mj0.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4mj0.bio1) has 12 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4mj0.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4mj0.bio1) has 12 residues | |||
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No: | Leader PDB | Ligand | Sequence Similarity |