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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 1331 families. | |||||
1 | 4OPS | - | NAG GAL FUC FUC | n/a | n/a |
2 | 4OPO | - | NAG GAL FUC FUC | n/a | n/a |
3 | 4WZL | - | NDG GAL FUC | n/a | n/a |
4 | 4X06 | - | GLA FUC GLA | n/a | n/a |
5 | 4WZE | - | NDG FUC GAL FUC | n/a | n/a |
6 | 4OP7 | - | GLA FUC GLA | n/a | n/a |
7 | 4X05 | - | GLA FUC GLA | n/a | n/a |
8 | 4WZT | - | GLA FUC A2G | n/a | n/a |
9 | 4X0C | - | NDG FUC GAL | n/a | n/a |
10 | 4WZK | - | NDG GAL FUC | n/a | n/a |
11 | 6H9V | - | MFU | C7 H14 O5 | C[C@H]1[C@.... |
12 | 4X07 | - | GLA FUC A2G | n/a | n/a |
13 | 5LKC | ic50 = 13 mM | GLA FUC A2G | n/a | n/a |
14 | 5LKG | - | GLC GAL FUC | n/a | n/a |
15 | 6GW0 | Kd = 0.000000064 M | TUD | C26 H45 N O6 S | C[C@H](CCC.... |
16 | 6GVZ | Kd = 0.4 uM | CHO | C26 H43 N O5 | C[C@H](CCC.... |
17 | 4Z4W | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
18 | 6GW1 | Kd = 0.000000064 M | CHO | C26 H43 N O5 | C[C@H](CCC.... |
19 | 4Z4Z | - | GLA FUC GLA | n/a | n/a |
20 | 3ONY | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
21 | 3Q3A | - | NAG GAL FUL | n/a | n/a |
22 | 4Z4T | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
23 | 4Z4V | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
24 | 4Z4Y | - | GLA FUC GLA | n/a | n/a |
25 | 5BSY | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
26 | 5HZB | ic50 = 5.5 mM | GLC GAL FUC | n/a | n/a |
27 | 3PA2 | - | NAG FUC GAL FUC | n/a | n/a |
28 | 4Z4S | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
29 | 3Q38 | - | GAL FUC GLA | n/a | n/a |
30 | 3RY8 | Kd = 460 uM | FLC | C6 H5 O7 | C(C(=O)[O-.... |
31 | 3PA1 | - | GAL FUC A2G | n/a | n/a |
32 | 6GW2 | Kd = 0.0000123 M | TUD | C26 H45 N O6 S | C[C@H](CCC.... |
33 | 4Z4U | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
34 | 3Q39 | - | GAL FUC | n/a | n/a |
35 | 5HZA | ic50 = 5.6 mM | BGC FUC GAL | n/a | n/a |
36 | 5BSX | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
37 | 6GY9 | - | KBA | C10 H17 N3 O5 | C[C@H]1[C@.... |
38 | 4Z4R | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
39 | 4RM0 | - | NAG GAL FUC | n/a | n/a |
40 | 3PUN | - | NDG FUC GAL FUC | n/a | n/a |
41 | 3PVD | - | NDG FUC GAL SIA | n/a | n/a |
42 | 6JYN | - | NAG GAL | n/a | n/a |
43 | 6JYS | - | A2G THR GAL NAG | n/a | n/a |
44 | 3R6K | - | GAL FUC GLA | n/a | n/a |
45 | 6IS5 | - | GLC GAL FUC A2G | n/a | n/a |
46 | 6GW4 | Kd = 0.000000064 M | CHO | C26 H43 N O5 | C[C@H](CCC.... |
47 | 2OBS | - | GL0 FUC A2G | n/a | n/a |
48 | 2OBT | - | GAL FUC GLA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1144 families. | |||||
1 | 4OPS | - | NAG GAL FUC FUC | n/a | n/a |
2 | 4OPO | - | NAG GAL FUC FUC | n/a | n/a |
3 | 4WZL | - | NDG GAL FUC | n/a | n/a |
4 | 4X06 | - | GLA FUC GLA | n/a | n/a |
5 | 4WZE | - | NDG FUC GAL FUC | n/a | n/a |
6 | 4OP7 | - | GLA FUC GLA | n/a | n/a |
7 | 4X05 | - | GLA FUC GLA | n/a | n/a |
8 | 4WZT | - | GLA FUC A2G | n/a | n/a |
9 | 4X0C | - | NDG FUC GAL | n/a | n/a |
10 | 4WZK | - | NDG GAL FUC | n/a | n/a |
11 | 6H9V | - | MFU | C7 H14 O5 | C[C@H]1[C@.... |
12 | 4X07 | - | GLA FUC A2G | n/a | n/a |
13 | 5LKC | ic50 = 13 mM | GLA FUC A2G | n/a | n/a |
14 | 5LKG | - | GLC GAL FUC | n/a | n/a |
15 | 6GW0 | Kd = 0.000000064 M | TUD | C26 H45 N O6 S | C[C@H](CCC.... |
16 | 6GVZ | Kd = 0.4 uM | CHO | C26 H43 N O5 | C[C@H](CCC.... |
17 | 4Z4W | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
18 | 6GW1 | Kd = 0.000000064 M | CHO | C26 H43 N O5 | C[C@H](CCC.... |
19 | 4Z4Z | - | GLA FUC GLA | n/a | n/a |
20 | 3ONY | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
21 | 3Q3A | - | NAG GAL FUL | n/a | n/a |
22 | 4Z4T | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
23 | 4Z4V | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
24 | 4Z4Y | - | GLA FUC GLA | n/a | n/a |
25 | 5BSY | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
26 | 5HZB | ic50 = 5.5 mM | GLC GAL FUC | n/a | n/a |
27 | 3PA2 | - | NAG FUC GAL FUC | n/a | n/a |
28 | 4Z4S | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
29 | 3Q38 | - | GAL FUC GLA | n/a | n/a |
30 | 3RY8 | Kd = 460 uM | FLC | C6 H5 O7 | C(C(=O)[O-.... |
31 | 3PA1 | - | GAL FUC A2G | n/a | n/a |
32 | 6GW2 | Kd = 0.0000123 M | TUD | C26 H45 N O6 S | C[C@H](CCC.... |
33 | 4Z4U | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
34 | 3Q39 | - | GAL FUC | n/a | n/a |
35 | 5HZA | ic50 = 5.6 mM | BGC FUC GAL | n/a | n/a |
36 | 5BSX | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
37 | 6GY9 | - | KBA | C10 H17 N3 O5 | C[C@H]1[C@.... |
38 | 4Z4R | - | FUL | C6 H12 O5 | C[C@H]1[C@.... |
39 | 4RM0 | - | NAG GAL FUC | n/a | n/a |
40 | 3PUN | - | NDG FUC GAL FUC | n/a | n/a |
41 | 3PVD | - | NDG FUC GAL SIA | n/a | n/a |
42 | 6JYN | - | NAG GAL | n/a | n/a |
43 | 6JYS | - | A2G THR GAL NAG | n/a | n/a |
44 | 4RDL | - | NDG FUC GAL FUC | n/a | n/a |
45 | 4RDK | - | NDG GAL FUC FUC | n/a | n/a |
46 | 3R6K | - | GAL FUC GLA | n/a | n/a |
47 | 5N7M | - | GLC GAL FUC | n/a | n/a |
48 | 2ZL6 | - | BGC GAL NAG GAL FUC | n/a | n/a |
49 | 2ZL7 | - | GAL FUC NGA | n/a | n/a |
50 | 3D26 | - | GAL FUC NGA | n/a | n/a |
51 | 6IS5 | - | GLC GAL FUC A2G | n/a | n/a |
52 | 4P25 | - | NAG FUC GAL FUC | n/a | n/a |
53 | 4P3I | - | NAG GAL FUC | n/a | n/a |
54 | 4P2N | - | NAG FUC GAL | n/a | n/a |
55 | 4P26 | - | NAG GAL FUC A2G | n/a | n/a |
56 | 4P1V | - | NAG GAL FUC | n/a | n/a |
57 | 6GW4 | Kd = 0.000000064 M | CHO | C26 H43 N O5 | C[C@H](CCC.... |
58 | 2OBS | - | GL0 FUC A2G | n/a | n/a |
59 | 2OBT | - | GAL FUC GLA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NDG FUC GAL FUC | 1 | 1 |
2 | NAG GAL FUC FUC | 0.940298 | 1 |
3 | NAG FUC GAL | 0.8 | 0.978723 |
4 | MAG FUC GAL FUC | 0.756757 | 0.979167 |
5 | NAG GAL FUC | 0.753425 | 0.978723 |
6 | NAG GAL FUC A2G | 0.739726 | 0.978723 |
7 | MAG GAL FUC FUC | 0.710526 | 0.979167 |
8 | NAG FUC GAL FUC A2G | 0.702381 | 0.959184 |
9 | NAG GAL FUC FUC A2G | 0.662791 | 0.959184 |
10 | GAL NAG GAL FUC FUC | 0.654762 | 1 |
11 | MAG SGA FUC | 0.642857 | 0.71875 |
12 | GLA NAG GAL FUC | 0.607143 | 0.978723 |
13 | NAG FUC | 0.60274 | 0.957447 |
14 | BGC GAL FUC | 0.6 | 0.723404 |
15 | GLC GAL BGC FUC | 0.6 | 0.723404 |
16 | NAG NON FUC GAL FUC | 0.597826 | 0.854545 |
17 | BGC GAL NAG GAL FUC FUC | 0.591398 | 1 |
18 | GAL NAG GAL FUC | 0.568182 | 0.938776 |
19 | BGC GAL NAG GAL FUC | 0.565217 | 0.978723 |
20 | NAG GAL FUC GLA | 0.563218 | 0.978723 |
21 | NDG GAL FUC FUC | 0.552941 | 0.92 |
22 | GAL NAG FUC GAL | 0.551724 | 0.978723 |
23 | XYS GAL FUC | 0.55 | 0.708333 |
24 | BGC FUC GAL FUC A2G | 0.538462 | 1 |
25 | BGC FUC GAL | 0.512821 | 0.723404 |
26 | GLC BGC FUC GAL | 0.512821 | 0.723404 |
27 | GLA NAG FUC GAL | 0.51087 | 0.958333 |
28 | GAL FUC A2G | 0.505882 | 0.978723 |
29 | MAG FUC G4S | 0.505495 | 0.707692 |
30 | BGC GAL FUC A2G | 0.5 | 0.978723 |
31 | BGC FUC GAL NAG | 0.494624 | 0.978723 |
32 | NAG GAL | 0.493506 | 0.957447 |
33 | A2G GAL | 0.493506 | 0.957447 |
34 | NAG FUC GAL SIA | 0.490909 | 0.903846 |
35 | MAG FUC SGA | 0.483871 | 0.707692 |
36 | BGC FUC GAL NAG GAL | 0.479592 | 0.978723 |
37 | BHE | 0.47619 | 0.636364 |
38 | AMU NAG | 0.47191 | 0.94 |
39 | 4YA | 0.46988 | 0.636364 |
40 | GLC GAL NAG GAL FUC GLA | 0.460784 | 0.978723 |
41 | A2G NAG | 0.45679 | 0.938776 |
42 | BGC GAL FUC GLA | 0.454545 | 0.723404 |
43 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.45098 | 0.957447 |
44 | NAG NAG BMA MAN NAG | 0.44898 | 0.959184 |
45 | NDG NAG GLA NAG GLC RAM | 0.448598 | 0.959184 |
46 | NDG GLA NAG GLC RAM | 0.448598 | 0.959184 |
47 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.446602 | 0.957447 |
48 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.445545 | 0.94 |
49 | GAL FUC GAL | 0.444444 | 0.723404 |
50 | NAG GAL GAL | 0.44186 | 0.957447 |
51 | GLC GAL NAG GAL FUC A2G | 0.439252 | 0.959184 |
52 | GDL NAG | 0.439024 | 0.938776 |
53 | NDG GLA GLC NAG GLC RAM | 0.436364 | 0.959184 |
54 | MAN MAN NAG | 0.433333 | 0.918367 |
55 | MAN NAG GAL | 0.431818 | 0.957447 |
56 | NAG GAL BGC GAL | 0.428571 | 0.957447 |
57 | MMA MAN NAG | 0.426966 | 0.958333 |
58 | NAG G6S | 0.426966 | 0.703125 |
59 | NAG TA5 FUC | 0.425532 | 0.69697 |
60 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.424528 | 0.959184 |
61 | TVD GAL | 0.419753 | 0.92 |
62 | NAG NAG NAG NAG NAG NAG | 0.418605 | 0.959184 |
63 | NDG NAG NAG NAG NAG | 0.418605 | 0.959184 |
64 | NAG NAG NAG NAG NAG | 0.418605 | 0.959184 |
65 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.418605 | 0.959184 |
66 | ASG GC4 | 0.414894 | 0.676923 |
67 | MAN NAG | 0.414634 | 0.957447 |
68 | HSH A2G FUC | 0.414141 | 0.854545 |
69 | BGC GAL SIA NGA GAL FUC | 0.414062 | 0.903846 |
70 | MAN MAN MAN NAG NAG | 0.412371 | 0.938776 |
71 | A2G GAL NAG | 0.408602 | 0.938776 |
72 | ASG IDR ASG IDR | 0.407767 | 0.707692 |
73 | NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.40708 | 0.938776 |
74 | NAG BDP | 0.406977 | 0.918367 |
75 | NDG BMA MAN MAN NAG GAL NAG | 0.405405 | 0.959184 |
76 | BGC GAL NGA | 0.404494 | 0.957447 |
77 | NAG GAL NAG GAL NAG GAL | 0.404255 | 0.959184 |
78 | NAG GAL NAG GAL | 0.404255 | 0.938776 |
79 | NGS FUC GLA SIA | 0.403226 | 0.712121 |
80 | MGC GAL | 0.402439 | 0.958333 |
81 | BGC GAL NGA GAL | 0.402174 | 0.957447 |
82 | NAG GAL NAG | 0.402174 | 0.938776 |
83 | BMA MAN MAN NAG GAL NAG | 0.401869 | 0.938776 |
84 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.401786 | 0.959184 |
85 | NDG BMA MAN MAN NAG MAN MAN | 0.401786 | 0.938776 |
86 | MAN MAN MAN GLC | 0.4 | 0.702128 |
87 | NAG BDP NAG BDP NAG BDP NAG | 0.4 | 0.94 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NAG FUC GAL FUC | 0.9659 |
This union binding pocket(no: 1) in the query (biounit: 3pun.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3pun.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |