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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 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 | BGC GAL SIA NGA GAL | 1 | 1 |
2 | BGC GAL SIA NGA GAL SIA | 0.917431 | 1 |
3 | BGC GAL SIA NGA GAL FUC | 0.841667 | 1 |
4 | SIA GAL NGA GAL | 0.834862 | 1 |
5 | BGC GAL SIA NAG | 0.830357 | 1 |
6 | GAL NGA GAL SIA | 0.818182 | 1 |
7 | BGC GAL GLA NGA GAL SIA | 0.794872 | 1 |
8 | GAL SIA NGA GAL SIA | 0.769912 | 1 |
9 | BGC GAL SIA NGA SIA | 0.738095 | 0.981132 |
10 | GAL NGA GAL SIA SIA | 0.725806 | 0.981132 |
11 | GAL SIA NGA GAL | 0.724138 | 0.981132 |
12 | GAL SIA NGA GAL SIA SIA | 0.690476 | 0.981132 |
13 | BGC GAL SIA SIA | 0.674797 | 0.981132 |
14 | GAL SIA NGA | 0.663793 | 1 |
15 | GLC GAL NGC | 0.65812 | 0.924528 |
16 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.652482 | 0.83871 |
17 | BGC GAL SIA | 0.649573 | 0.943396 |
18 | BGC 18C GAL SIA NGA GAL | 0.642384 | 0.83871 |
19 | NAG GAL SIA | 0.641026 | 1 |
20 | A2G GAL SIA | 0.632479 | 1 |
21 | BGC GAL NAG GAL SIA | 0.630769 | 0.981132 |
22 | GAL NAG FUC GAL SIA | 0.603053 | 1 |
23 | GAL NAG GAL SIA | 0.6 | 0.981132 |
24 | NAG GAL NGC | 0.592 | 0.962264 |
25 | NAG GAL SIA SIA | 0.582677 | 0.981132 |
26 | NAG FUC GAL SIA | 0.581395 | 1 |
27 | MAG FUC GAL SIA | 0.581395 | 0.962264 |
28 | NGS GAL SIA | 0.578125 | 0.787879 |
29 | NGA GAL SIA | 0.576 | 0.980769 |
30 | NDG GAL SIA SIA | 0.55814 | 0.945455 |
31 | BGC GAL NAG GAL | 0.554545 | 0.865385 |
32 | NAG GAL NAG GAL SIA | 0.551471 | 0.981132 |
33 | BGC GAL NGA GAL | 0.550459 | 0.865385 |
34 | BGC GAL GLA NGA GAL | 0.548673 | 0.865385 |
35 | NAG 2FG SIA | 0.547619 | 0.928571 |
36 | NGA POL GAL NGC AZI | 0.532847 | 0.784615 |
37 | 2FG SIA | 0.529915 | 0.892857 |
38 | NGS FUC GLA SIA | 0.528571 | 0.787879 |
39 | CEQ BGC NGA GAL SIA SIA | 0.526316 | 0.8 |
40 | NAG GAL PKM | 0.523077 | 0.981132 |
41 | Z3Q GAL 5N6 | 0.518248 | 0.83871 |
42 | BGC 16C GAL SIA | 0.506579 | 0.83871 |
43 | GAL 5N6 | 0.5 | 0.962264 |
44 | NAG GAL 5N6 | 0.5 | 0.962963 |
45 | GAL SIA SIA | 0.496063 | 0.981132 |
46 | BGC 18C GAL SIA | 0.490323 | 0.83871 |
47 | MBG NGC | 0.483607 | 0.907407 |
48 | BGC GAL NAG GAL FUC | 0.472 | 0.884615 |
49 | GLC GAL NAG GAL FUC GLA | 0.465116 | 0.884615 |
50 | GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ | 0.456954 | 0.945455 |
51 | C4W NAG FUC BMA MAN NAG GAL SIA | 0.450617 | 0.852459 |
52 | BGC GAL GLA NGA | 0.45 | 0.865385 |
53 | BGC GAL NAG GAL FUC FUC | 0.446154 | 0.903846 |
54 | BGC GAL NAG | 0.444444 | 0.865385 |
55 | C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG | 0.44186 | 0.852459 |
56 | GAL SIA | 0.429752 | 0.924528 |
57 | GLC GAL NAG GAL FUC A2G | 0.426471 | 0.942308 |
58 | SIA CMO | 0.423423 | 0.87037 |
59 | BGC GAL NGA | 0.422414 | 0.865385 |
60 | BGC GAL NAG NAG GAL GAL | 0.412214 | 0.923077 |
61 | BGC GAL GLA | 0.4 | 0.634615 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 3bwr.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3bwr.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3bwr.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |