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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 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 | MAN MAN | 1 | 1 |
2 | GAL FUC | 0.686275 | 0.970588 |
3 | 7D1 MAN | 0.584906 | 0.942857 |
4 | GLC IFM | 0.571429 | 0.727273 |
5 | BQZ | 0.5 | 0.909091 |
6 | ISX | 0.5 | 0.761905 |
7 | GAL GLA | 0.5 | 0.941176 |
8 | XYP IOB BGC | 0.486111 | 0.780488 |
9 | 3CU GLC | 0.483333 | 0.615385 |
10 | RZM | 0.482143 | 0.688889 |
11 | MBG GLA | 0.481481 | 0.888889 |
12 | MAN G63 | 0.47541 | 0.6875 |
13 | G2F BGC BGC BGC BGC BGC | 0.46875 | 0.868421 |
14 | MAN BMA BMA | 0.467742 | 0.942857 |
15 | NOJ GLC | 0.466667 | 0.733333 |
16 | XYS GLC GLC | 0.462687 | 0.914286 |
17 | LG9 GLC | 0.460317 | 0.603774 |
18 | GYP | 0.458333 | 0.857143 |
19 | MMA | 0.458333 | 0.857143 |
20 | AMG | 0.458333 | 0.857143 |
21 | MBG | 0.458333 | 0.857143 |
22 | GLC BGC BGC BGC | 0.457627 | 0.941176 |
23 | BGC BGC BGC BGC BGC BGC BGC | 0.457627 | 0.941176 |
24 | BGC BGC BGC BGC BGC BGC | 0.457627 | 0.941176 |
25 | BGC BGC BGC BGC BGC | 0.457627 | 0.941176 |
26 | BGC BGC BGC | 0.457627 | 0.941176 |
27 | MBG GAL | 0.45614 | 0.888889 |
28 | MGL GAL | 0.45614 | 0.888889 |
29 | BGC GLA GAL | 0.454545 | 0.941176 |
30 | IFM BGC | 0.45 | 0.711111 |
31 | RR7 GLC | 0.448276 | 0.888889 |
32 | XYS XYS AHR | 0.447761 | 0.864865 |
33 | XYP XYP AHR | 0.447761 | 0.864865 |
34 | MAN MAN BMA | 0.446154 | 0.942857 |
35 | NAG BMA | 0.446154 | 0.6875 |
36 | NAG GAL | 0.444444 | 0.695652 |
37 | BDF GLC | 0.444444 | 0.916667 |
38 | MAN MNM | 0.442623 | 0.666667 |
39 | NOY BGC | 0.442623 | 0.666667 |
40 | GLC DMJ | 0.442623 | 0.733333 |
41 | GLC GLC GLC GLC BGC GLC GLC | 0.440678 | 0.941176 |
42 | MAN BMA BMA BMA BMA BMA BMA | 0.440678 | 0.941176 |
43 | BGC BGC BGC BGC BGC BGC BGC BGC BGC | 0.440678 | 0.941176 |
44 | CJX | 0.435484 | 0.680851 |
45 | 5QP | 0.433333 | 0.941176 |
46 | FRU GLC | 0.433333 | 0.794872 |
47 | BGC OXZ | 0.42623 | 0.666667 |
48 | 9MR | 0.42623 | 0.744186 |
49 | XYP XYP AHR XYP | 0.424658 | 0.864865 |
50 | BGC FUC GAL | 0.424242 | 0.914286 |
51 | GLC BGC FUC GAL | 0.424242 | 0.914286 |
52 | GLC G6P | 0.423729 | 0.744186 |
53 | AHR FUB | 0.423077 | 0.805556 |
54 | A2G GAL | 0.421875 | 0.695652 |
55 | FUC GAL | 0.416667 | 0.885714 |
56 | XYS AHR XYP XYP XYP | 0.416667 | 0.864865 |
57 | BMA MAN MAN | 0.415385 | 0.941176 |
58 | GLC 7LQ | 0.412698 | 0.885714 |
59 | BGC XGP | 0.412698 | 0.744186 |
60 | GCU BGC | 0.412698 | 0.861111 |
61 | ABL | 0.412698 | 0.666667 |
62 | XYP XYP XYP AHR | 0.410959 | 0.864865 |
63 | MAN IPD MAN | 0.409836 | 0.744186 |
64 | DGO MAN | 0.409836 | 0.914286 |
65 | FRU BMA | 0.409836 | 0.794872 |
66 | GLC U8V | 0.409836 | 0.864865 |
67 | GAL FUC GAL | 0.409091 | 0.914286 |
68 | XYP XYP XYP AHR XYP | 0.407895 | 0.864865 |
69 | GDQ GLC | 0.40625 | 0.666667 |
70 | BGC GAL GLA | 0.40625 | 0.941176 |
71 | GLC GLC GLC | 0.405797 | 0.942857 |
72 | IPD MAN | 0.403226 | 0.697674 |
73 | GLC EDO GLC | 0.403226 | 0.888889 |
74 | GAL SO4 GAL | 0.402985 | 0.627451 |
75 | G2F SHG BGC BGC | 0.4 | 0.842105 |
76 | MGC GAL | 0.4 | 0.666667 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MMA MAN | 0.9802 |
2 | DMJ MAN | 0.9768 |
3 | ZEL MAN | 0.9637 |
4 | MAN GLC | 0.9624 |
5 | MAN IFM | 0.9559 |
6 | BMA MAN | 0.9430 |
7 | GLC GLC | 0.9325 |
8 | MSX MAN | 0.9314 |
9 | IFM MAN | 0.9292 |
10 | MMA LDY | 0.9235 |
11 | GLC FRU | 0.9233 |
12 | DGO Z61 | 0.9199 |
13 | Z5L MAN | 0.9176 |
14 | BMA GLA | 0.9175 |
15 | MAN MVL | 0.9160 |
16 | BGC GLC | 0.9156 |
17 | GLA GLC | 0.9115 |
18 | GLC GLA | 0.9098 |
19 | GMH GMH | 0.9093 |
20 | XMM | 0.9053 |
21 | TW7 GLC | 0.8865 |
22 | BGC GLA | 0.8855 |
23 | BMA MVL | 0.8770 |
24 | SER MAN | 0.8766 |
25 | MVL BMA | 0.8669 |
26 | GLA BEZ | 0.8637 |
27 | RNK | 0.8586 |
28 | EGA GLA | 0.8573 |
29 | DTK | 0.8572 |
30 | BGC BGC | 0.8559 |
31 | SGC GLC | 0.8509 |
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 |