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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 322 families. | |||||
1 | 4N33 | - | GAL NAG | n/a | n/a |
2 | 3P5I | - | NAG G6S | n/a | n/a |
3 | 3P5H | - | BGC BGC | n/a | n/a |
4 | 4N37 | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
5 | 4N34 | - | 2F8 | C9 H17 N O6 | CC(=O)N[C@.... |
6 | 3P5E | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
7 | 6PWR | - | MAN NAG | n/a | n/a |
8 | 6PWS | Ki = 1.6 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
9 | 5G6U | ic50 = 0.22 uM | SGN | C6 H13 N O11 S2 | C([C@@H]1[.... |
10 | 5VYB | - | BMA MAN MAN MAN MAN MAN MAN | n/a | n/a |
11 | 1SL5 | - | GAL NAG FUC GAL | n/a | n/a |
12 | 2IT5 | - | MAN MAN MAN | n/a | n/a |
13 | 6LFJ | Kd = 140 uM | MAN IPD MAN | n/a | n/a |
14 | 1K9J | - | MAN MAN MAN NAG NAG | n/a | n/a |
15 | 1SL4 | - | MAN MAN MAN MAN | n/a | n/a |
16 | 2IT6 | - | MAN MAN | n/a | n/a |
17 | 1K9I | - | MAN MAN MAN NAG NAG | n/a | n/a |
18 | 6GHV | Kd = 52 uM | EZ8 | C35 H48 Cl N6 O10 | c1cc(ccc1C.... |
19 | 3VYK | Kd = 0.000023 M | MMA MAN NAG MAN NAG NAG | n/a | n/a |
20 | 4KZV | - | GLC GLC | n/a | n/a |
21 | 4ZRV | - | GLC U8V | n/a | n/a |
22 | 5KTH | - | GLC GLC 6X7 6X7 | n/a | n/a |
23 | 5KTI | - | GLC GLC 6X6 | n/a | n/a |
24 | 2OX9 | - | NAG FUC GAL | n/a | n/a |
25 | 4ZES | Ki = 9.4 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
26 | 3WH2 | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
27 | 5JPV | - | GLC GAL | n/a | n/a |
28 | 5JQ1 | - | ZPF | C9 H15 N O6 | CC(=O)N[C@.... |
29 | 1SL6 | - | NDG FUC GAL | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NAG FUC GAL | 1 | 1 |
2 | NAG GAL FUC FUC | 0.8 | 0.978723 |
3 | NDG FUC GAL FUC | 0.8 | 0.978723 |
4 | MAG SGA FUC | 0.717949 | 0.730159 |
5 | GAL NAG FUC GAL | 0.679487 | 1 |
6 | NAG FUC GAL FUC A2G | 0.674699 | 0.938776 |
7 | NAG GAL FUC FUC A2G | 0.674699 | 0.938776 |
8 | BGC FUC GAL | 0.652174 | 0.73913 |
9 | GLC BGC FUC GAL | 0.652174 | 0.73913 |
10 | NAG FUC | 0.637681 | 0.978261 |
11 | GLA NAG FUC GAL | 0.626506 | 0.978723 |
12 | NAG GAL FUC | 0.61039 | 1 |
13 | NAG GAL FUC GLA | 0.609756 | 1 |
14 | A2G GAL | 0.608696 | 0.978261 |
15 | NAG GAL FUC A2G | 0.597403 | 1 |
16 | MAG GAL FUC FUC | 0.594937 | 0.958333 |
17 | MAG FUC GAL FUC | 0.594937 | 0.958333 |
18 | NAG GAL | 0.585714 | 0.978261 |
19 | BGC FUC GAL NAG GAL | 0.566667 | 1 |
20 | GAL NAG GAL FUC FUC | 0.551724 | 0.978723 |
21 | BGC FUC GAL NAG | 0.551724 | 1 |
22 | GAL FUC GAL | 0.547945 | 0.73913 |
23 | MAG FUC G4S | 0.546512 | 0.692308 |
24 | MAG FUC SGA | 0.54023 | 0.692308 |
25 | NAG FUC GAL SIA | 0.538462 | 0.884615 |
26 | BGC GAL NAG GAL FUC FUC | 0.531915 | 0.978723 |
27 | GAL FUC A2G | 0.530864 | 1 |
28 | NAG GAL GAL | 0.518987 | 0.978261 |
29 | BGC FUC GAL FUC A2G | 0.511111 | 0.978723 |
30 | NDG GLA NAG GLC RAM | 0.51 | 0.938776 |
31 | NDG NAG GLA NAG GLC RAM | 0.51 | 0.938776 |
32 | NDG GLA GLC NAG GLC RAM | 0.509804 | 0.938776 |
33 | TVD GAL | 0.5 | 0.938776 |
34 | MGC GAL | 0.5 | 0.978723 |
35 | GLC GAL NAG GAL FUC GLA | 0.494845 | 1 |
36 | A2G GAL NAG | 0.494118 | 0.958333 |
37 | BGC GAL FUC GLA | 0.493976 | 0.73913 |
38 | BGC GAL NAG GAL FUC | 0.489362 | 1 |
39 | BGC GAL FUC A2G | 0.48913 | 1 |
40 | GLA NAG GAL FUC | 0.488636 | 1 |
41 | GLC GAL BGC FUC | 0.487179 | 0.73913 |
42 | BGC GAL FUC | 0.487179 | 0.73913 |
43 | A2G NAG | 0.480519 | 0.958333 |
44 | NAG NON FUC GAL FUC | 0.474227 | 0.836364 |
45 | NAG GAL NAG GAL NAG GAL | 0.471264 | 0.938776 |
46 | NAG GAL NAG GAL | 0.471264 | 0.958333 |
47 | BGC GAL NGA GAL | 0.470588 | 0.978261 |
48 | MAN NAG GAL | 0.46988 | 0.978261 |
49 | NAG GAL BGC GAL | 0.465116 | 0.978261 |
50 | A2G MBN GAL | 0.465116 | 0.9375 |
51 | NAG G6S | 0.464286 | 0.714286 |
52 | GAL NAG GAL | 0.464286 | 0.978261 |
53 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.463918 | 0.92 |
54 | NAG BMA | 0.461538 | 0.88 |
55 | AMU NAG | 0.45977 | 0.92 |
56 | BGC GAL NAG GAL | 0.45977 | 0.978261 |
57 | GAL NAG GAL FUC | 0.456522 | 0.958333 |
58 | NDG GAL FUC FUC | 0.454545 | 0.9 |
59 | C4W NAG FUC BMA | 0.453608 | 0.884615 |
60 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.452632 | 0.958333 |
61 | LOG GAL | 0.444444 | 0.789474 |
62 | GDL NAG | 0.443038 | 0.958333 |
63 | GLC GAL NAG GAL FUC A2G | 0.442308 | 0.938776 |
64 | HSH GLA FUC | 0.44186 | 0.648148 |
65 | A2G SER GAL | 0.44186 | 0.865385 |
66 | NGS FUC GLA SIA | 0.440678 | 0.69697 |
67 | BGC GAL GLA NGA GAL | 0.43956 | 0.978261 |
68 | FUC GAL | 0.438356 | 0.717391 |
69 | GAL NAG GAL NAG GAL | 0.438202 | 0.958333 |
70 | ASG GC4 | 0.433333 | 0.661538 |
71 | GAL FUC | 0.432432 | 0.702128 |
72 | GAL A2G MBN | 0.431818 | 0.918367 |
73 | HSH A2G FUC | 0.431579 | 0.836364 |
74 | XYS GAL FUC | 0.428571 | 0.723404 |
75 | NAG TA5 FUC | 0.428571 | 0.681818 |
76 | NAG NAG BMA | 0.426966 | 0.884615 |
77 | NAG BDP | 0.426829 | 0.897959 |
78 | ASG GCD | 0.423913 | 0.636364 |
79 | BGC GAL NGA | 0.423529 | 0.978261 |
80 | NAG BMA MAN MAN MAN MAN | 0.42268 | 0.978261 |
81 | NOK GAL | 0.421687 | 0.785714 |
82 | NAG NAG NAG NAG NAG | 0.421687 | 0.938776 |
83 | NAG NAG NAG NAG NAG NAG NAG NAG | 0.421687 | 0.938776 |
84 | NDG NAG NAG NAG NAG | 0.421687 | 0.938776 |
85 | NAG NAG NAG NAG NAG NAG | 0.421687 | 0.938776 |
86 | A2G THR GAL | 0.420455 | 0.901961 |
87 | NAG GAL NAG | 0.420455 | 0.958333 |
88 | BMA MAN MAN MAN | 0.418605 | 0.744681 |
89 | MAG FUC GAL SIA | 0.415929 | 0.849057 |
90 | GCU BGC | 0.415584 | 0.702128 |
91 | C4W NAG FUC BMA MAN | 0.415094 | 0.884615 |
92 | GLC U8V | 0.413333 | 0.744681 |
93 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.411765 | 0.978261 |
94 | BHE | 0.411765 | 0.648148 |
95 | ASG IDR ASG IDR | 0.41 | 0.692308 |
96 | NAG NAG MAN MAN MAN | 0.41 | 0.958333 |
97 | BMA MAN NAG | 0.409091 | 0.978261 |
98 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.407767 | 0.978261 |
99 | GAL NAG FUC GAL SIA | 0.40678 | 0.884615 |
100 | 4YA | 0.404762 | 0.648148 |
101 | GAL GC2 | 0.404494 | 0.676923 |
102 | BGC GAL NAG | 0.404494 | 0.978261 |
103 | GAL GLA | 0.402778 | 0.717391 |
104 | AMU | 0.402597 | 0.893617 |
105 | GAL NAG | 0.402439 | 0.978261 |
106 | A2G NPO GAL | 0.402174 | 0.703125 |
107 | NAG BDP NAG BDP NAG BDP NAG | 0.402062 | 0.92 |
108 | MAN NAG | 0.4 | 0.978261 |
109 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.4 | 0.717391 |
110 | GLC GLC GLC GLC BGC GLC GLC | 0.4 | 0.717391 |
111 | MAN BMA BMA BMA BMA BMA BMA | 0.4 | 0.717391 |
112 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.4 | 0.938776 |
113 | GAL FUC NGA | 0.4 | 0.918367 |
114 | NAG GAL GLC NAG GLC RAM | 0.4 | 0.958333 |
115 | NDG GAL | 0.4 | 0.728814 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NDG FUC GAL | 0.9753 |
2 | MAG FUC GAL | 0.9581 |
3 | NDG GAL FUC | 0.8990 |
4 | NAG FUC SGA | 0.8950 |
This union binding pocket(no: 1) in the query (biounit: 2ox9.bio4) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2GGX | NPJ | 43.5714 |