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- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 214 families. | |||||
1 | 3IKR | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
2 | 1PWB | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
3 | 3IKQ | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
4 | 3IKP | - | IPD | C6 H11 O9 P | [C@H]1([C@.... |
5 | 5OXS | - | K5B GMH GMH GLC | n/a | n/a |
6 | 5OXR | - | K5B GMH GMH | n/a | n/a |
7 | 3IKN | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
8 | 4DN8 | - | BMA | C6 H12 O6 | C([C@@H]1[.... |
9 | 2RIA | ic50 = 2.7 mM | 289 | C7 H14 O7 | C([C@H]([C.... |
10 | 3G81 | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
11 | 2ORJ | - | BM3 | C8 H15 N O6 | CC(=O)N[C@.... |
12 | 2GGX | ic50 = 0.32 mM | NPJ | C18 H25 N O13 | c1cc(ccc1[.... |
13 | 2RIE | - | 293 | C7 H14 O6 | C1[C@H]([C.... |
14 | 2RIC | - | GMH GMH | n/a | n/a |
15 | 3G84 | - | MAN MAN | n/a | n/a |
16 | 2ORK | ic50 = 1.4 mM | IPD | C6 H11 O9 P | [C@H]1([C@.... |
17 | 2OS9 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
18 | 2GGU | ic50 = 0.94 mM | GLC GLC GLC | n/a | n/a |
19 | 3G83 | - | MAN MAN | n/a | n/a |
20 | 2RID | ic50 = 1.7 mM | 291 | C11 H19 N O8 | C=CCO[C@@H.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 3IKR | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
2 | 1PWB | - | GLC | C6 H12 O6 | C([C@@H]1[.... |
3 | 3IKQ | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
4 | 3IKP | - | IPD | C6 H11 O9 P | [C@H]1([C@.... |
5 | 5OXS | - | K5B GMH GMH GLC | n/a | n/a |
6 | 5OXR | - | K5B GMH GMH | n/a | n/a |
7 | 3IKN | - | GAL | C6 H12 O6 | C([C@@H]1[.... |
8 | 2MSB | Ki = 1.3 mM | NAG BMA MAN MAN MAN MAN MAN | n/a | n/a |
9 | 4DN8 | - | BMA | C6 H12 O6 | C([C@@H]1[.... |
10 | 1AFB | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
11 | 1KWW | - | MFU | C7 H14 O5 | C[C@H]1[C@.... |
12 | 1KX0 | - | MAN MAN | n/a | n/a |
13 | 1KWY | - | MAN MAN | n/a | n/a |
14 | 1FIH | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
15 | 4KMB | - | MAG FUC G4S | n/a | n/a |
16 | 1BCH | - | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
17 | 1KWV | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
18 | 1BCJ | Kd = 0.2 mM | NGA | C8 H15 N O6 | CC(=O)N[C@.... |
19 | 1KWX | - | MFB | C7 H14 O5 | C[C@H]1[C@.... |
20 | 1KWU | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
21 | 1KWZ | - | MAN MAN | n/a | n/a |
22 | 1AFA | - | MBG | C7 H14 O6 | CO[C@H]1[C.... |
23 | 3KMB | - | FUC | C6 H12 O5 | C[C@H]1[C@.... |
24 | 2KMB | - | NAG GAL SIA FUC | n/a | n/a |
25 | 2RIA | ic50 = 2.7 mM | 289 | C7 H14 O7 | C([C@H]([C.... |
26 | 3G81 | - | MMA | C7 H14 O6 | CO[C@@H]1[.... |
27 | 2ORJ | - | BM3 | C8 H15 N O6 | CC(=O)N[C@.... |
28 | 2GGX | ic50 = 0.32 mM | NPJ | C18 H25 N O13 | c1cc(ccc1[.... |
29 | 2RIE | - | 293 | C7 H14 O6 | C1[C@H]([C.... |
30 | 2RIC | - | GMH GMH | n/a | n/a |
31 | 3G84 | - | MAN MAN | n/a | n/a |
32 | 2ORK | ic50 = 1.4 mM | IPD | C6 H11 O9 P | [C@H]1([C@.... |
33 | 2OS9 | - | INS | C6 H12 O6 | C1(C(C(C(C.... |
34 | 2GGU | ic50 = 0.94 mM | GLC GLC GLC | n/a | n/a |
35 | 3G83 | - | MAN MAN | n/a | n/a |
36 | 2RID | ic50 = 1.7 mM | 291 | C11 H19 N O8 | C=CCO[C@@H.... |
37 | 6RYM | - | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
38 | 6RYN | - | GN1 | C8 H16 N O9 P | CC(=O)N[C@.... |
39 | 1KZD | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
40 | 1RDI | Ki = 8.8 mM | MFU | C7 H14 O5 | C[C@H]1[C@.... |
41 | 1RDL | Ki = 5.7 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
42 | 1KZC | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
43 | 1KZA | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
44 | 1KZE | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
45 | 1RDN | Ki = 14.4 mM | NDG | C8 H15 N O6 | CC(=O)N[C@.... |
46 | 1RDK | Ki = 114 mM | GAL | C6 H12 O6 | C([C@@H]1[.... |
47 | 1KZB | - | MAN | C6 H12 O6 | C([C@@H]1[.... |
48 | 1RDJ | Ki = 21.7 mM | MFB | C7 H14 O5 | C[C@H]1[C@.... |
49 | 1RDM | Ki = 5.7 mM | MMA | C7 H14 O6 | CO[C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GLC GLC GLC | 1 | 1 |
2 | BGC BGC GLC BGC XYS BGC XYS XYS | 0.690141 | 0.972222 |
3 | MAN BMA BMA | 0.65625 | 1 |
4 | BGC GLC GLC | 0.651515 | 0.942857 |
5 | BGC BGC BGC XYS XYS GAL | 0.6375 | 0.972222 |
6 | GLC GLC GLC GLC GLC | 0.614286 | 0.942857 |
7 | BGC GLC GLC GLC | 0.614286 | 0.942857 |
8 | MAN MAN BMA | 0.602941 | 1 |
9 | BGC BGC BGC BGC | 0.597222 | 0.942857 |
10 | BMA MAN MAN | 0.573529 | 0.942857 |
11 | BGC BGC XYS XYS GAL | 0.573171 | 0.944444 |
12 | BGC BGC BGC XYS XYS GAL GAL | 0.573171 | 0.944444 |
13 | BGC GLC GLC GLC GLC GLC | 0.571429 | 0.942857 |
14 | BGC GLC GLC GLC GLC | 0.571429 | 0.942857 |
15 | BGC BGC XYS GAL | 0.552632 | 0.944444 |
16 | GLC GLC XYS XYS | 0.547945 | 0.916667 |
17 | BGC BGC XYS BGC XYS XYS GAL | 0.546512 | 0.944444 |
18 | BGC BGC BGC XYS | 0.538462 | 0.944444 |
19 | BGC BGC BGC XYS BGC XYS XYS | 0.5375 | 0.944444 |
20 | BGC BGC BGC XYS BGC XYS XYS GAL GAL | 0.534091 | 0.944444 |
21 | BGC BGC BGC XYS BGC XYS XYS GAL | 0.534091 | 0.944444 |
22 | MMA MAN | 0.53125 | 0.891892 |
23 | BMA BMA BMA BMA GLA | 0.52 | 0.942857 |
24 | GLC AGL | 0.514706 | 0.755556 |
25 | MMA MAN MAN | 0.513889 | 0.891892 |
26 | BGC BGC BGC XYS BGC XYS | 0.506173 | 0.944444 |
27 | BGC BGC BGC BGC BGC XYS | 0.493976 | 0.944444 |
28 | BGC BGC BGC XYS BGC XYS BGC XYS BGC | 0.493976 | 0.944444 |
29 | BGC BGC BGC BGC XYS BGC XYS BGC BGC | 0.493976 | 0.944444 |
30 | BGC BGC BGC XYS BGC XYS GAL | 0.488636 | 0.944444 |
31 | AHR AHR AHR AHR AHR | 0.484375 | 0.810811 |
32 | AHR AHR AHR AHR | 0.484375 | 0.810811 |
33 | AHR AHR AHR AHR AHR AHR | 0.484375 | 0.810811 |
34 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.480519 | 0.942857 |
35 | MAN MAN MAN MAN MAN MAN MAN | 0.47619 | 0.942857 |
36 | H1M MAN MAN | 0.474359 | 0.871795 |
37 | NBG BGC BGC XYS BGC XYS XYS | 0.47191 | 0.708333 |
38 | BMA MAN MAN MAN | 0.4625 | 0.868421 |
39 | MAN MAN MAN | 0.4625 | 0.916667 |
40 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.461538 | 0.66 |
41 | AHR AHR | 0.460317 | 0.810811 |
42 | G2F BGC BGC BGC BGC BGC | 0.453333 | 0.871795 |
43 | NAG BMA | 0.453333 | 0.693878 |
44 | NAG GAL BGC GAL | 0.440476 | 0.702128 |
45 | BMA MAN MAN MAN MAN | 0.440476 | 0.891892 |
46 | BMA NGT MAN MAN | 0.43956 | 0.634615 |
47 | BMA BMA BMA BMA GLA BMA GLA | 0.436782 | 0.868421 |
48 | GLC EDO GLC | 0.43662 | 0.944444 |
49 | FRU GLC GLA | 0.435897 | 0.846154 |
50 | NAG NAG BMA MAN MAN MAN MAN | 0.433962 | 0.673077 |
51 | NAG NAG MAN MAN MAN | 0.431579 | 0.66 |
52 | NOJ BGC | 0.430556 | 0.73913 |
53 | Z9N GLC | 0.430556 | 0.846154 |
54 | GLC FRU GLA GLA GLA | 0.43038 | 0.846154 |
55 | GLC FRU GLA GLA | 0.43038 | 0.846154 |
56 | QPU | 0.426829 | 0.772727 |
57 | IFM MAN | 0.424658 | 0.717391 |
58 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.418367 | 0.702128 |
59 | BGC GLA GAL | 0.41791 | 0.942857 |
60 | NGB | 0.414634 | 0.6 |
61 | GAL GLA | 0.411765 | 0.942857 |
62 | NOJ GLC | 0.410959 | 0.73913 |
63 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.408451 | 0.942857 |
64 | MAN BMA BMA BMA BMA BMA BMA | 0.408451 | 0.942857 |
65 | GLC GLC GLC GLC BGC GLC GLC | 0.408451 | 0.942857 |
66 | GLO BGC BGC XYS BGC XYS XYS | 0.408163 | 0.918919 |
67 | LSE | 0.407407 | 0.66 |
68 | BQZ | 0.40625 | 0.857143 |
69 | MAN MAN | 0.405797 | 0.942857 |
70 | GLC FRU GLA | 0.404762 | 0.846154 |
71 | BGC BGC BGC BGC BGC BGC | 0.402778 | 0.942857 |
72 | GLC BGC BGC BGC | 0.402778 | 0.942857 |
73 | BGC BGC BGC | 0.402778 | 0.942857 |
74 | BGC BGC BGC BGC BGC | 0.402778 | 0.942857 |
75 | BGC BGC BGC BGC BGC BGC BGC | 0.402778 | 0.942857 |
76 | 5QP | 0.402778 | 0.942857 |
77 | NAG BMA MAN MAN MAN MAN | 0.4 | 0.702128 |
78 | MGL GAL | 0.4 | 0.891892 |
79 | RZM | 0.4 | 0.695652 |
80 | GPM GLC | 0.4 | 0.733333 |
81 | BGC GAL GLA | 0.4 | 0.942857 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | LAG | 0.9370 |
2 | XYP GLC GLC | 0.9331 |
3 | GLC DAF | 0.9325 |
4 | GLC AC1 | 0.9214 |
5 | XYS GLC GLC | 0.9182 |
6 | LM2 | 0.9162 |
7 | SOR GLC GLC | 0.8879 |
8 | BMA BMA BMA | 0.8877 |
9 | GLC BGC BGC | 0.8707 |
10 | GAL GAL GAL | 0.8638 |
This union binding pocket(no: 1) in the query (biounit: 2ggx.bio1) has 12 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2ggx.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 2ggx.bio1) has 13 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2OX9 | NAG FUC GAL | 43.5714 |