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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 | BGC GAL NAG GAL SIA | 1 | 1 |
2 | NAG GAL NAG GAL SIA | 0.884956 | 1 |
3 | BGC GAL SIA | 0.82243 | 0.962264 |
4 | BGC GAL GLA NGA GAL SIA | 0.68254 | 0.981132 |
5 | GAL NAG GAL SIA | 0.669421 | 1 |
6 | NAG GAL 5N6 | 0.650406 | 0.981481 |
7 | BGC GAL SIA NGA GAL | 0.630769 | 0.981132 |
8 | GAL NGA GAL SIA | 0.629032 | 0.981132 |
9 | BGC GAL SIA NAG | 0.617188 | 0.981132 |
10 | C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG | 0.602564 | 0.868852 |
11 | BGC GAL SIA NGA GAL SIA | 0.598485 | 0.981132 |
12 | GLC GAL NGC | 0.593496 | 0.907407 |
13 | C4W NAG FUC BMA MAN NAG GAL SIA | 0.590604 | 0.868852 |
14 | BGC GAL SIA SIA | 0.587786 | 0.962963 |
15 | NAG GAL SIA SIA | 0.585938 | 1 |
16 | NAG GAL SIA | 0.577236 | 0.981132 |
17 | BGC GAL SIA NGA GAL FUC | 0.570423 | 0.981132 |
18 | GAL NGA GAL SIA SIA | 0.565217 | 0.962963 |
19 | BGC GAL NAG NAG GAL GAL | 0.558333 | 0.90566 |
20 | NAG GAL NGC | 0.55814 | 0.944444 |
21 | BGC GAL SIA NGA SIA | 0.556338 | 0.962963 |
22 | SIA GAL NGA GAL | 0.553846 | 0.981132 |
23 | NDG GAL SIA SIA | 0.549618 | 0.963636 |
24 | NGS GAL SIA | 0.533835 | 0.776119 |
25 | GAL SIA NGA GAL SIA | 0.530303 | 0.981132 |
26 | GAL NAG GAL NAG GAL | 0.526316 | 0.90566 |
27 | GAL NAG FUC GAL SIA | 0.52518 | 0.981132 |
28 | GAL SIA NGA | 0.523438 | 0.981132 |
29 | BGC GAL GLA NGA | 0.517241 | 0.849057 |
30 | BGC GAL NAG | 0.513274 | 0.849057 |
31 | NAG GAL NAG GAL NAG GAL | 0.513043 | 0.924528 |
32 | NAG GAL NAG GAL | 0.513043 | 0.90566 |
33 | GAL SIA | 0.508621 | 0.943396 |
34 | A2G GAL SIA | 0.507812 | 0.981132 |
35 | GAL SIA NGA GAL | 0.507463 | 1 |
36 | BGC GAL NAG GAL | 0.504348 | 0.849057 |
37 | NAG FUC GAL SIA | 0.50365 | 0.981132 |
38 | BGC GAL GLA NGA GAL | 0.5 | 0.849057 |
39 | GAL 1GN BGC ACY GAL 1GN BGC ACY GAL 6PZ | 0.5 | 0.963636 |
40 | BGC FUC GAL NAG GAL | 0.496 | 0.867925 |
41 | NAG GAL PKM | 0.492537 | 0.962963 |
42 | NGS FUC GLA SIA | 0.489655 | 0.776119 |
43 | GAL SIA NGA GAL SIA SIA | 0.482759 | 0.962963 |
44 | GAL NAG GAL | 0.482456 | 0.849057 |
45 | NGA GAL SIA | 0.474074 | 0.962264 |
46 | MAG FUC GAL SIA | 0.471429 | 0.944444 |
47 | BGC 16C GAL SIA | 0.462025 | 0.854839 |
48 | NAG NAG MAN MAN MAN | 0.460938 | 0.90566 |
49 | NAG SIA | 0.459677 | 0.928571 |
50 | NAG NAG BMA MAN | 0.456 | 0.909091 |
51 | BGC GAL NAG GAL FUC | 0.453125 | 0.867925 |
52 | NGA POL GAL NGC AZI | 0.452055 | 0.772727 |
53 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.451128 | 0.924528 |
54 | BGC GAL NAG GAL FUC FUC | 0.450382 | 0.886792 |
55 | NAG 2FG SIA | 0.448529 | 0.912281 |
56 | MAN NAG GAL | 0.448276 | 0.849057 |
57 | 2FG SIA | 0.448 | 0.877193 |
58 | BGC 18C GAL SIA | 0.447205 | 0.854839 |
59 | BGC CEQ GAL SLB NGA GAL SIA SIA | 0.441718 | 0.825397 |
60 | GLC GAL NAG GAL FUC A2G | 0.441176 | 0.924528 |
61 | NAG NAG BMA MAN NAG | 0.4375 | 0.924528 |
62 | NAG GAL NAG | 0.436975 | 0.90566 |
63 | BGC GAL NGA GAL | 0.436975 | 0.849057 |
64 | BGC 18C GAL SIA NGA GAL | 0.436782 | 0.854839 |
65 | GLC GAL NAG GAL FUC GLA | 0.43609 | 0.867925 |
66 | NDG BMA MAN MAN NAG GAL NAG | 0.434783 | 0.924528 |
67 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.431655 | 0.924528 |
68 | NAG GAL GAL | 0.431034 | 0.849057 |
69 | MBG NGC | 0.429688 | 0.890909 |
70 | BGC GAL NGA | 0.42735 | 0.849057 |
71 | NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.425532 | 0.90566 |
72 | GAL SIA SIA | 0.422222 | 0.962963 |
73 | A2G THR ALA PRO GLY GLY NAG SIA | 0.421348 | 0.768116 |
74 | C4W NAG FUC BMA MAN | 0.42029 | 0.909091 |
75 | BGC GAL GLA | 0.418182 | 0.622642 |
76 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.415929 | 0.622642 |
77 | SIA CMO | 0.415929 | 0.854545 |
78 | GAL 5N6 | 0.412214 | 0.944444 |
79 | BMA MAN MAN NAG GAL NAG | 0.411765 | 0.90566 |
80 | NAG NAG BMA MAN MAN MAN MAN | 0.409722 | 0.909091 |
81 | CEQ BGC NGA GAL SIA SIA | 0.409639 | 0.815385 |
82 | Z3Q GAL 5N6 | 0.409396 | 0.825397 |
83 | BGC FUC GAL NAG | 0.403101 | 0.867925 |
84 | NAG NAG FUL BMA MAN MAN NAG GAL | 0.402685 | 0.927273 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4x17.bio1) has 15 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4x17.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4x17.bio1) has 17 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |