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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 20 families. | |||||
1 | 2WM0 | Ki = 0.25 uM | NAG NGT NAG | n/a | n/a |
2 | 5Z7O | - | NAG NAG NAG NAG | n/a | n/a |
3 | 1NH6 | - | NAG NAG NAG NAG NAG NAG | n/a | n/a |
4 | 2WLZ | - | NGT NAG | n/a | n/a |
5 | 2WLY | Ki = 30 uM | SN5 NGT | n/a | n/a |
6 | 5Z7P | - | NAG NAG NAG | n/a | n/a |
7 | 1K9T | - | NAG NAG NAG NAG | n/a | n/a |
8 | 1EIB | - | NAG NAG NAG NAG NAG NAG NAG NAG | n/a | n/a |
9 | 5Z7N | - | NDG NAG NAG NAG NAG | n/a | n/a |
10 | 1FFR | - | NAG NAG NAG NAG NAG NAG NAG | n/a | n/a |
11 | 1X6N | - | AO3 | C25 H42 N4 O14 | CC(=O)N[C@.... |
12 | 5Z7M | - | NDG NAG NAG NAG NAG NAG | n/a | n/a |
13 | 1EHN | - | NAG NAG NAG NAG NAG NAG NAG NAG | n/a | n/a |
14 | 1FFQ | - | NAA AMI NAA | n/a | n/a |
15 | 2WK2 | Ki = 0.15 uM | SN5 NGT SN5 | n/a | n/a |
16 | 6JMN | Kd = 0.085 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 11 families. | |||||
1 | 2WM0 | Ki = 0.25 uM | NAG NGT NAG | n/a | n/a |
2 | 5Z7O | - | NAG NAG NAG NAG | n/a | n/a |
3 | 1NH6 | - | NAG NAG NAG NAG NAG NAG | n/a | n/a |
4 | 2WLZ | - | NGT NAG | n/a | n/a |
5 | 2WLY | Ki = 30 uM | SN5 NGT | n/a | n/a |
6 | 5Z7P | - | NAG NAG NAG | n/a | n/a |
7 | 1K9T | - | NAG NAG NAG NAG | n/a | n/a |
8 | 1EIB | - | NAG NAG NAG NAG NAG NAG NAG NAG | n/a | n/a |
9 | 5Z7N | - | NDG NAG NAG NAG NAG | n/a | n/a |
10 | 1FFR | - | NAG NAG NAG NAG NAG NAG NAG | n/a | n/a |
11 | 1X6N | - | AO3 | C25 H42 N4 O14 | CC(=O)N[C@.... |
12 | 5Z7M | - | NDG NAG NAG NAG NAG NAG | n/a | n/a |
13 | 1EHN | - | NAG NAG NAG NAG NAG NAG NAG NAG | n/a | n/a |
14 | 1FFQ | - | NAA AMI NAA | n/a | n/a |
15 | 2WK2 | Ki = 0.15 uM | SN5 NGT SN5 | n/a | n/a |
16 | 6JMN | Kd = 0.085 uM | BV0 | C24 H25 N6 O3 | CC1=CC=CN2.... |
17 | 3B9A | Kd = 0.09 uM | NAG NAG NAG NAG NAG NAG | n/a | n/a |
18 | 3B9D | - | NAG NAG NAG NAG | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAG NAG | 1 | 1 |
2 | GDL NAG | 0.608696 | 0.979592 |
3 | NAG GCS GCS | 0.607595 | 0.921569 |
4 | NAG GAL | 0.588235 | 0.918367 |
5 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.575342 | 0.96 |
6 | NDG NAG NAG NAG NAG | 0.575342 | 0.96 |
7 | NAG NAG NAG NAG NAG NAG | 0.575342 | 0.96 |
8 | NAG NAG NAG NAG NAG | 0.575342 | 0.96 |
9 | NAG GAL GAL | 0.519481 | 0.918367 |
10 | NAG NAG NAG TMX | 0.518519 | 0.813559 |
11 | NAG GAL NAG | 0.506173 | 0.979592 |
12 | NAG GAL FUC A2G | 0.5 | 0.938776 |
13 | NAG G6S | 0.5 | 0.707692 |
14 | ASG | 0.492754 | 0.646154 |
15 | NAG GAL NAG GAL | 0.488095 | 0.979592 |
16 | NAG GAL NAG GAL NAG GAL | 0.488095 | 0.96 |
17 | KPM | 0.483146 | 0.886792 |
18 | SN5 SN5 | 0.473684 | 0.811321 |
19 | NAG GAL UNU | 0.45977 | 0.921569 |
20 | NAG NAG MAN MAN MAN | 0.452632 | 0.979592 |
21 | NAG NAG BMA MAN NAG | 0.451613 | 0.96 |
22 | NAG GAL FUC GLA | 0.449438 | 0.938776 |
23 | NAG GAL BEK | 0.431579 | 0.827586 |
24 | NDG | 0.430769 | 0.816327 |
25 | BM3 | 0.430769 | 0.816327 |
26 | NAG | 0.430769 | 0.816327 |
27 | A2G | 0.430769 | 0.816327 |
28 | HSQ | 0.430769 | 0.816327 |
29 | NGA | 0.430769 | 0.816327 |
30 | NAG GAL BGC GAL | 0.430233 | 0.918367 |
31 | NAG BMA MAN MAN MAN MAN | 0.421053 | 0.918367 |
32 | ASG GC4 | 0.41573 | 0.681818 |
33 | NAG GCU NAG GCD | 0.413462 | 0.907407 |
34 | NDG NAG | 0.4125 | 0.96 |
35 | GAL NAG GAL | 0.411765 | 0.918367 |
36 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.41 | 0.918367 |
37 | NAG GAL SIA | 0.407767 | 0.942308 |
38 | BGC GAL NGA | 0.404762 | 0.918367 |
39 | TVD GAL | 0.402597 | 0.96 |
40 | NAG NAG NAG NAG NAG NAG NAG | 0.402299 | 0.924528 |
41 | NAG NAG NAG | 0.402299 | 0.924528 |
42 | NAG NAG NAG NAG | 0.402299 | 0.924528 |
43 | MBG A2G | 0.4 | 0.92 |
44 | NAG NOJ NAG NAG | 0.4 | 0.875 |
45 | MAN NAG GAL | 0.4 | 0.918367 |
46 | NAG NOJ NAG | 0.4 | 0.890909 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAG NGT NAG | 1 | 1 |
2 | NGT NAG | 0.915493 | 0.983051 |
3 | SN5 NGT SN5 | 0.797468 | 0.9 |
4 | SN5 NGT | 0.74359 | 0.9 |
5 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.6 | 0.830508 |
6 | NDG NAG NAG NAG NAG | 0.6 | 0.830508 |
7 | NAG NAG NAG NAG NAG NAG | 0.6 | 0.830508 |
8 | NAG NAG NAG NAG NAG | 0.6 | 0.830508 |
9 | AO3 | 0.574468 | 0.797101 |
10 | NAA AMI NAA | 0.574468 | 0.797101 |
11 | NAG NAG NAG | 0.551724 | 0.777778 |
12 | NAG NAG NAG NAG | 0.551724 | 0.777778 |
13 | NAG NAG NAG NAG NAG NAG NAG | 0.551724 | 0.777778 |
14 | GDL NAG | 0.55 | 0.813559 |
15 | NAG NOJ NAG NAG | 0.527473 | 0.769231 |
16 | Z4S NAG NAG | 0.527473 | 0.866667 |
17 | NAG NOJ NAG | 0.527473 | 0.753846 |
18 | MBG A2G | 0.52439 | 0.766667 |
19 | Z3Q NGA | 0.522222 | 0.710145 |
20 | UMG | 0.504951 | 0.769231 |
21 | AMV NAG AMU NAG | 0.494845 | 0.803279 |
22 | 6Y2 | 0.494737 | 0.684932 |
23 | NAA AMI NA1 | 0.490385 | 0.785714 |
24 | BGC GAL NGA | 0.488636 | 0.762712 |
25 | GUM | 0.485149 | 0.769231 |
26 | NAG NAG BMA MAN NAG | 0.48 | 0.830508 |
27 | BMA NGT MAN MAN | 0.474747 | 0.847458 |
28 | BMA MAN NAG | 0.472527 | 0.762712 |
29 | MAN NAG | 0.46988 | 0.762712 |
30 | NAG GAL NAG | 0.467391 | 0.813559 |
31 | MAN NAG GAL | 0.466667 | 0.762712 |
32 | NDG NAG | 0.465116 | 0.830508 |
33 | NAG NAG NAG TMX | 0.462366 | 0.720588 |
34 | GAL NAG GAL | 0.461538 | 0.762712 |
35 | A2G NAG | 0.458824 | 0.813559 |
36 | MBG NAG | 0.458824 | 0.766667 |
37 | BMA MAN MAN NAG GAL NAG | 0.457944 | 0.813559 |
38 | NAG NAG BMA | 0.457447 | 0.761905 |
39 | NAG NGO | 0.456522 | 0.836066 |
40 | GAL NGA | 0.448276 | 0.721311 |
41 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.442478 | 0.830508 |
42 | 3QL | 0.43956 | 0.85 |
43 | NAG GAL NAG GAL | 0.4375 | 0.813559 |
44 | GAL NAG GAL NAG GAL | 0.4375 | 0.813559 |
45 | NAG GAL NAG GAL NAG GAL | 0.4375 | 0.830508 |
46 | BGC GAL NAG | 0.43617 | 0.762712 |
47 | C4W NAG FUC BMA MAN NAG | 0.435897 | 0.790323 |
48 | NAG NAG BMA MAN MAN NAG NAG | 0.434783 | 0.777778 |
49 | NDG BMA MAN MAN NAG GAL NAG | 0.433628 | 0.830508 |
50 | NGT GAL | 0.431818 | 0.847458 |
51 | MMA MAN NAG | 0.430108 | 0.766667 |
52 | MAN MAN MAN NAG NAG | 0.43 | 0.813559 |
53 | GAL NGA A2G | 0.428571 | 0.813559 |
54 | NGT | 0.428571 | 0.762712 |
55 | GNL | 0.428571 | 0.762712 |
56 | BGC GAL GLA NGA | 0.428571 | 0.762712 |
57 | BDP NPO NDG BDP NDG | 0.424779 | 0.684932 |
58 | 2F8 | 0.423077 | 0.716667 |
59 | MAG | 0.423077 | 0.716667 |
60 | MMA MAN NAG MAN NAG NAG | 0.421569 | 0.816667 |
61 | NM9 NAG | 0.421053 | 0.803279 |
62 | MAN MAN NAG | 0.421053 | 0.737705 |
63 | SN5 SN5 | 0.420455 | 0.766667 |
64 | BMA Z4Y NAG | 0.42 | 0.779661 |
65 | GN1 | 0.419753 | 0.647059 |
66 | NG1 | 0.419753 | 0.647059 |
67 | NAG NAG BMA MAN | 0.417476 | 0.761905 |
68 | AMU NAG | 0.412371 | 0.816667 |
69 | C4W NAG FUC BMA MAN MAN NAG NAG | 0.41129 | 0.790323 |
70 | C4W NAG FUC BMA | 0.411215 | 0.790323 |
71 | GAL FUC A2G | 0.410526 | 0.779661 |
72 | JXD | 0.40708 | 0.628205 |
73 | NAG ASN NAG BMA MAN MAN NAG NAG | 0.406504 | 0.753846 |
74 | ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG | 0.406504 | 0.765625 |
75 | NAG NAG BMA BMA | 0.405941 | 0.765625 |
76 | C4W NAG FUC BMA MAN MAN NAG | 0.404762 | 0.790323 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2wk2.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Y2C | NAG NAG NAG NAG NAG | 38.1201 |
2 | 4P8X | NAG NAG NAG NAG NAG NAG | 39.3531 |
3 | 1NWU | NAG NAG NAG NDG | 40.884 |
This union binding pocket(no: 2) in the query (biounit: 2wk2.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5Y2C | NAG NAG NAG NAG NAG | 38.1201 |
2 | 4P8X | NAG NAG NAG NAG NAG NAG | 39.3531 |
3 | 1NWU | NAG NAG NAG NDG | 40.884 |