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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 | GLC BGC FUC GAL | 1 | 1 |
2 | BGC FUC GAL | 1 | 1 |
3 | GAL FUC GAL | 0.666667 | 1 |
4 | BGC FUC GAL NAG GAL | 0.6625 | 0.73913 |
5 | NAG FUC GAL | 0.652174 | 0.73913 |
6 | BGC FUC GAL NAG | 0.649351 | 0.73913 |
7 | BGC GAL FUC GLA | 0.633803 | 1 |
8 | GAL NAG FUC GAL | 0.618421 | 0.73913 |
9 | BGC FUC GAL FUC A2G | 0.6 | 0.723404 |
10 | BGC GAL FUC | 0.588235 | 1 |
11 | GLC GAL BGC FUC | 0.588235 | 1 |
12 | NAG GAL FUC GLA | 0.55 | 0.73913 |
13 | NAG GAL FUC FUC | 0.532468 | 0.723404 |
14 | GLA NAG FUC GAL | 0.53012 | 0.723404 |
15 | HSH GLA FUC | 0.526316 | 0.790698 |
16 | GAL GLA | 0.52459 | 0.970588 |
17 | GLC GLC GLC GLC BGC GLC GLC | 0.515625 | 0.970588 |
18 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.515625 | 0.970588 |
19 | MAN BMA BMA BMA BMA BMA BMA | 0.515625 | 0.970588 |
20 | NDG FUC GAL FUC | 0.512821 | 0.723404 |
21 | GAL NAG GAL FUC FUC | 0.511905 | 0.723404 |
22 | GLC GAL NAG GAL FUC GLA | 0.505495 | 0.73913 |
23 | NDG GAL FUC FUC | 0.5 | 0.693878 |
24 | NAG GAL FUC A2G | 0.493506 | 0.73913 |
25 | FUC GAL | 0.492308 | 0.970588 |
26 | GAL FUC A2G | 0.487179 | 0.73913 |
27 | GLC BGC BGC BGC | 0.484848 | 0.970588 |
28 | BGC BGC BGC | 0.484848 | 0.970588 |
29 | BGC BGC BGC BGC BGC BGC BGC | 0.484848 | 0.970588 |
30 | BGC BGC BGC BGC BGC | 0.484848 | 0.970588 |
31 | BGC BGC BGC BGC BGC BGC | 0.484848 | 0.970588 |
32 | GAL FUC | 0.484848 | 0.942857 |
33 | BGC GAL FUC A2G | 0.482759 | 0.73913 |
34 | GLA NAG GAL FUC | 0.481928 | 0.73913 |
35 | NAG FUC | 0.478873 | 0.717391 |
36 | BGC GAL NAG GAL FUC FUC | 0.478261 | 0.723404 |
37 | MAG GAL FUC FUC | 0.475 | 0.708333 |
38 | XYS GAL FUC | 0.473684 | 0.971429 |
39 | NAG GAL FUC FUC A2G | 0.47191 | 0.693878 |
40 | NAG GAL | 0.471429 | 0.755556 |
41 | NAG GAL FUC | 0.468354 | 0.73913 |
42 | BGC GAL NAG GAL FUC | 0.466667 | 0.73913 |
43 | NDG GAL | 0.464789 | 0.607143 |
44 | GCU BGC | 0.463768 | 0.888889 |
45 | BGC GAL NGA GAL | 0.4625 | 0.755556 |
46 | MGL GAL | 0.461538 | 0.971429 |
47 | BMA MAN MAN MAN | 0.461538 | 0.944444 |
48 | BGC GLA GAL | 0.460317 | 0.970588 |
49 | BGC GAL GLA | 0.457143 | 0.970588 |
50 | GAL FUC NGA | 0.45679 | 0.708333 |
51 | MAG FUC GAL FUC | 0.45679 | 0.708333 |
52 | GAL NAG GAL | 0.455696 | 0.755556 |
53 | NAG FUC GAL FUC A2G | 0.455556 | 0.693878 |
54 | BHE | 0.454545 | 0.790698 |
55 | RR7 GLC | 0.454545 | 0.916667 |
56 | MAN GLA ABE | 0.454545 | 0.944444 |
57 | GAL SO4 GAL | 0.452055 | 0.647059 |
58 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.452055 | 0.970588 |
59 | MAN BMA BMA | 0.450704 | 0.916667 |
60 | A2G GAL | 0.450704 | 0.755556 |
61 | BQZ | 0.45 | 0.882353 |
62 | GLC BGC G6D ACI | 0.448276 | 0.755556 |
63 | 4YA | 0.447368 | 0.790698 |
64 | BGC GLC AGL GLC GLC GLC | 0.447059 | 0.73913 |
65 | GLC GLC GLC G6D ACI GLC GLC | 0.444444 | 0.755556 |
66 | BMA MAN MAN | 0.444444 | 0.970588 |
67 | MAN IPD MAN | 0.441176 | 0.767442 |
68 | MBG GLA | 0.4375 | 0.971429 |
69 | IPD MAN | 0.434783 | 0.72093 |
70 | GLC GAL NAG GAL FUC A2G | 0.434343 | 0.693878 |
71 | BGC GAL NAG GAL | 0.433735 | 0.755556 |
72 | NAG BMA | 0.432432 | 0.673469 |
73 | MGC GAL | 0.430556 | 0.723404 |
74 | TVD GAL | 0.430556 | 0.693878 |
75 | G2F SHG BGC BGC | 0.430556 | 0.868421 |
76 | BGC GAL GLA NGA GAL | 0.430233 | 0.755556 |
77 | GAL NAG GAL NAG GAL | 0.428571 | 0.708333 |
78 | ARE | 0.425532 | 0.755556 |
79 | EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM | 0.425532 | 0.68 |
80 | AAO | 0.425532 | 0.755556 |
81 | MAN MAN MAN | 0.425 | 0.942857 |
82 | GLC GLC AC1 | 0.424658 | 0.767442 |
83 | MAN MAN | 0.424242 | 0.914286 |
84 | BMA BMA BMA BMA GLA | 0.423077 | 0.970588 |
85 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.423077 | 0.970588 |
86 | BGC XGP | 0.422535 | 0.767442 |
87 | ACG | 0.421053 | 0.717391 |
88 | GLC GLC AGL HMC | 0.419355 | 0.73913 |
89 | RAM MAN GLA TYV RAM GLC MAN GLA TYV | 0.418367 | 0.894737 |
90 | RZM | 0.41791 | 0.673913 |
91 | MBG GAL | 0.41791 | 0.971429 |
92 | NAG GAL GAL | 0.417722 | 0.755556 |
93 | MMA GLA ABE | 0.417722 | 0.894737 |
94 | NDG GLA GLC NAG GLC RAM | 0.417476 | 0.693878 |
95 | GPM GLC | 0.416667 | 0.75 |
96 | NDG NAG GLA NAG GLC RAM | 0.415842 | 0.693878 |
97 | NDG GLA NAG GLC RAM | 0.415842 | 0.693878 |
98 | GAL NAG GAL FUC | 0.41573 | 0.708333 |
99 | BGC OXZ | 0.414286 | 0.653061 |
100 | GLC EDO GLC | 0.414286 | 0.916667 |
101 | G2F BGC BGC BGC BGC BGC | 0.413333 | 0.846154 |
102 | BGC GLC GLC | 0.413333 | 0.970588 |
103 | GLC GLC G6D ACI | 0.413043 | 0.723404 |
104 | BGC GAL NGA | 0.4125 | 0.755556 |
105 | 7D1 MAN | 0.411765 | 0.864865 |
106 | BGC 5VQ GAL GLA | 0.410959 | 0.918919 |
107 | BGC GLC GLD GLC ACI GLD GLC ACI G6D | 0.410526 | 0.673469 |
108 | GLC GLC G6D GLC ACI GLC | 0.410526 | 0.723404 |
109 | GLC GLC AC1 GLC GLC GLC | 0.410526 | 0.723404 |
110 | GLC GLC AGL HMC GLC | 0.410526 | 0.723404 |
111 | BGC GLC GLC GLC | 0.410256 | 0.970588 |
112 | XYS GLC GLC | 0.410256 | 0.942857 |
113 | GLC GLC GLC GLC GLC | 0.410256 | 0.970588 |
114 | AHR FUB | 0.409836 | 0.833333 |
115 | MAN NAG GAL | 0.407407 | 0.755556 |
116 | AOG FUC | 0.407407 | 0.653846 |
117 | NAG GAL BGC GAL | 0.404762 | 0.755556 |
118 | ABL | 0.402778 | 0.6875 |
119 | BGC OXZ BGC | 0.402597 | 0.673469 |
120 | BGC BGC XYS GAL | 0.402439 | 0.916667 |
121 | C4W NAG FUC BMA | 0.4 | 0.653846 |
122 | 5QP | 0.4 | 0.861111 |
123 | BGC BGC BGC BGC | 0.4 | 0.970588 |
124 | BGC BGC BGC XYS BGC XYS | 0.4 | 0.916667 |
125 | AIG FUC | 0.4 | 0.653846 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | NDG GAL FUC | 0.9214 |
2 | MAG FUC GAL | 0.9113 |
3 | NDG FUC GAL | 0.9021 |
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 |