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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 | GAL FUC | 1 | 1 |
2 | MAN MAN | 0.686275 | 0.970588 |
3 | GLC BGC FUC GAL | 0.484848 | 0.942857 |
4 | BGC FUC GAL | 0.484848 | 0.942857 |
5 | GAL FUC GAL | 0.469697 | 0.942857 |
6 | NAG FUC | 0.447761 | 0.680851 |
7 | XYS GAL FUC | 0.444444 | 0.916667 |
8 | BHG FUC | 0.438356 | 0.790698 |
9 | NAG FUC GAL | 0.432432 | 0.702128 |
10 | BGC GAL FUC | 0.428571 | 0.942857 |
11 | GLC GAL BGC FUC | 0.428571 | 0.942857 |
12 | DA8 | 0.426667 | 0.790698 |
13 | NAG GAL FUC A2G | 0.426667 | 0.702128 |
14 | AIG FUC | 0.424658 | 0.653846 |
15 | 7D1 MAN | 0.419355 | 0.916667 |
16 | 4YA | 0.416667 | 0.790698 |
17 | AOG FUC | 0.413333 | 0.653846 |
18 | BMA MAN MAN MAN | 0.413333 | 0.891892 |
19 | BHE | 0.405405 | 0.790698 |
20 | GAL NAG GAL FUC | 0.404762 | 0.708333 |
21 | NAG GAL FUC | 0.402597 | 0.702128 |
22 | HSH GLA FUC | 0.402597 | 0.790698 |
23 | BGC GAL FUC GLA | 0.402597 | 0.942857 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | JFZ | 0.9089 |
2 | GDQ GLC | 0.9051 |
3 | BGC BGC | 0.9002 |
4 | DSQ | 0.8981 |
5 | XYS XYS | 0.8955 |
6 | BGC GAL | 0.8949 |
7 | GLC IFM | 0.8948 |
8 | GLC DMJ | 0.8941 |
9 | DTK | 0.8937 |
10 | RR7 GLC | 0.8917 |
11 | XYS XYP | 0.8915 |
12 | XYP XYS | 0.8906 |
13 | DS8 | 0.8885 |
14 | XIL | 0.8881 |
15 | XDL XYP | 0.8881 |
16 | 6MD | 0.8864 |
17 | XYP XDN | 0.8861 |
18 | RZM | 0.8854 |
19 | GLC GAL | 0.8851 |
20 | GLC GLC | 0.8837 |
21 | 1WO | 0.8835 |
22 | XYP XYP | 0.8827 |
23 | ADN | 0.8818 |
24 | GLC 7LQ | 0.8782 |
25 | IMH | 0.8768 |
26 | MYG | 0.8764 |
27 | WCU | 0.8763 |
28 | JPB | 0.8758 |
29 | JRO | 0.8758 |
30 | XYP XIF | 0.8752 |
31 | XIF XYP | 0.8752 |
32 | ISX | 0.8749 |
33 | NOS | 0.8747 |
34 | BGC GLC | 0.8747 |
35 | SNI | 0.8743 |
36 | BGC OXZ | 0.8741 |
37 | 26A | 0.8741 |
38 | SMI | 0.8740 |
39 | GLC BGC | 0.8723 |
40 | EST | 0.8722 |
41 | AD3 | 0.8721 |
42 | H4B | 0.8712 |
43 | MAN IFM | 0.8711 |
44 | FUC GAL | 0.8701 |
45 | FRU GLC | 0.8698 |
46 | NEO | 0.8695 |
47 | BMA GAL | 0.8685 |
48 | BMA BMA | 0.8677 |
49 | 1DA | 0.8676 |
50 | 5AD | 0.8671 |
51 | AFX | 0.8671 |
52 | BNY | 0.8665 |
53 | JAD | 0.8665 |
54 | TBN | 0.8656 |
55 | UA2 | 0.8656 |
56 | IMK | 0.8652 |
57 | 7FZ | 0.8652 |
58 | GCS GCS | 0.8650 |
59 | MGL GAL | 0.8641 |
60 | CX6 | 0.8631 |
61 | 5ID | 0.8629 |
62 | SHG BGC | 0.8627 |
63 | BMA BGC | 0.8626 |
64 | PRH | 0.8623 |
65 | 3CA | 0.8620 |
66 | FTU | 0.8618 |
67 | MGL SGC | 0.8616 |
68 | PA1 GCS | 0.8614 |
69 | FT2 | 0.8612 |
70 | FT1 | 0.8605 |
71 | HBI | 0.8601 |
72 | SA0 | 0.8596 |
73 | CMP | 0.8595 |
74 | MMA MAN | 0.8593 |
75 | MPU | 0.8581 |
76 | WV7 | 0.8569 |
77 | NXB | 0.8568 |
78 | EKH | 0.8563 |
79 | 3D1 | 0.8558 |
80 | F01 | 0.8549 |
81 | 5S9 | 0.8549 |
82 | TES | 0.8546 |
83 | NQ8 | 0.8541 |
84 | ESZ | 0.8538 |
This union binding pocket(no: 1) in the query (biounit: 6gw1.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 6gw1.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |