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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 2 families. | |||||
1 | 2H5A | - | X1P | C5 H11 O8 P | C1[C@H]([C.... |
2 | 2FKM | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
3 | 2H4L | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
4 | 1P5D | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
5 | 1P5G | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
6 | 1PCM | - | M6P | C6 H13 O9 P | C([C@@H]1[.... |
7 | 4MRQ | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
8 | 3BKQ | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
9 | 1K2Y | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
10 | 1PCJ | - | M1P | C6 H13 O9 P | C([C@@H]1[.... |
11 | 2FKF | Kd = 1.2 mM | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2H5A | - | X1P | C5 H11 O8 P | C1[C@H]([C.... |
2 | 2FKM | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
3 | 2H4L | - | R1P | C5 H11 O8 P | C([C@@H]1[.... |
4 | 1P5D | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
5 | 1P5G | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
6 | 1PCM | - | M6P | C6 H13 O9 P | C([C@@H]1[.... |
7 | 4MRQ | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
8 | 3BKQ | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
9 | 1K2Y | - | TLA | C4 H6 O6 | [C@@H]([C@.... |
10 | 1PCJ | - | M1P | C6 H13 O9 P | C([C@@H]1[.... |
11 | 2FKF | Kd = 1.2 mM | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
12 | 6NQG | - | GPM | C7 H15 O8 P | C([C@@H]1[.... |
13 | 6NNU | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
14 | 6NOL | - | M1P | C6 H13 O9 P | C([C@@H]1[.... |
15 | 6NNN | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
16 | 6NOQ | - | M1P | C6 H13 O9 P | C([C@@H]1[.... |
17 | 6N1E | - | QIF | C7 H15 O9 P | C[C@]1([C@.... |
18 | 6NNO | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
19 | 6NP8 | - | M6P | C6 H13 O9 P | C([C@@H]1[.... |
20 | 6NNS | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
21 | 6NNP | - | G6P | C6 H13 O9 P | C([C@@H]1[.... |
22 | 6MLH | Ki = 213 uM | GPM | C7 H15 O8 P | C([C@@H]1[.... |
23 | 6MLW | Ki = 184 uM | JVA | C7 H14 F O7 P | C([C@@H]1[.... |
24 | 6NNT | - | G16 | C6 H13 O12 P2 | C([C@@H]1[.... |
25 | 6MNV | Ki = 428 uM | JVS | C7 H14 F O9 P | C([C@@H]1[.... |
26 | 5BMP | - | G1P | C6 H13 O9 P | C([C@@H]1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GL1 | 1 | 1 |
2 | XGP | 1 | 1 |
3 | M1P | 1 | 1 |
4 | G1P | 1 | 1 |
5 | R1P | 0.852941 | 0.904762 |
6 | JV4 | 0.675 | 0.904762 |
7 | GFP | 0.533333 | 0.909091 |
8 | GP1 | 0.533333 | 0.833333 |
9 | RI2 | 0.533333 | 0.837209 |
10 | MBG | 0.512195 | 0.674419 |
11 | AMG | 0.512195 | 0.674419 |
12 | GYP | 0.512195 | 0.674419 |
13 | MMA | 0.512195 | 0.674419 |
14 | G16 | 0.5 | 0.928571 |
15 | NG1 | 0.480769 | 0.754717 |
16 | GN1 | 0.480769 | 0.754717 |
17 | BGC XGP | 0.472727 | 0.863636 |
18 | MAN IPD MAN | 0.471698 | 0.863636 |
19 | IPD MAN | 0.462963 | 0.904762 |
20 | GLC G6P | 0.461538 | 0.863636 |
21 | BQZ | 0.456522 | 0.707317 |
22 | YO5 | 0.454545 | 0.883721 |
23 | GPM | 0.454545 | 0.883721 |
24 | 2M8 | 0.44 | 0.714286 |
25 | BNX | 0.434783 | 1 |
26 | ALX | 0.434783 | 1 |
27 | GMB | 0.433962 | 0.928571 |
28 | 56N | 0.431373 | 0.697674 |
29 | RGG | 0.428571 | 0.690476 |
30 | GAT | 0.423077 | 0.6 |
31 | MK0 | 0.42029 | 0.75 |
32 | DEG | 0.42 | 0.617021 |
33 | GAL PHB | 0.418182 | 0.681818 |
34 | GLC U8V | 0.418182 | 0.652174 |
35 | MMA MAN | 0.415094 | 0.666667 |
36 | GPM GLC | 0.413793 | 0.844444 |
37 | MBG GLA | 0.411765 | 0.666667 |
38 | BGC GLA GAL | 0.411765 | 0.697674 |
39 | BGC GLC GLC GLC GLC GLC | 0.407407 | 0.697674 |
40 | BGC GLC GLC GLC GLC | 0.407407 | 0.697674 |
41 | J5B | 0.403846 | 0.630435 |
42 | GAL GLA | 0.403846 | 0.697674 |
43 | EBQ | 0.403846 | 0.630435 |
44 | FUC GAL | 0.4 | 0.697674 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | JVA | 0.9918 |
2 | BG6 | 0.9125 |
3 | G6P | 0.9075 |
4 | 94E | 0.9067 |
5 | GLP | 0.9066 |
6 | LIP | 0.9066 |
7 | M6P | 0.9041 |
8 | X1P | 0.9019 |
9 | LAO | 0.9003 |
10 | JVS | 0.8984 |
11 | 3LJ | 0.8960 |
12 | HSX | 0.8955 |
13 | M3N | 0.8947 |
14 | RP5 | 0.8936 |
15 | QIF | 0.8929 |
16 | GC3 | 0.8927 |
17 | 2VQ | 0.8914 |
18 | 1VQ | 0.8902 |
19 | F1P | 0.8882 |
20 | F6P | 0.8877 |
21 | TA6 | 0.8862 |
22 | TLM | 0.8839 |
23 | BM3 | 0.8816 |
24 | M3Q | 0.8803 |
25 | S3P | 0.8802 |
26 | 2M5 | 0.8765 |
27 | 790 | 0.8753 |
28 | HCA | 0.8748 |
29 | IOS | 0.8747 |
30 | NGT | 0.8735 |
31 | 57O | 0.8734 |
32 | NDG | 0.8725 |
33 | K2Q | 0.8719 |
34 | 9KH | 0.8692 |
35 | NBG | 0.8685 |
36 | NAG | 0.8685 |
37 | IPD | 0.8661 |
38 | DG2 | 0.8659 |
39 | NHT | 0.8649 |
40 | FLC | 0.8647 |
41 | CIT | 0.8646 |
42 | F6R | 0.8646 |
43 | TL6 | 0.8645 |
44 | IBM | 0.8638 |
45 | 40H | 0.8632 |
46 | GRF | 0.8631 |
47 | XQI | 0.8630 |
48 | NGO | 0.8628 |
49 | TOM | 0.8617 |
50 | SES | 0.8617 |
51 | KG1 | 0.8595 |
52 | JF1 | 0.8591 |
53 | VYM | 0.8583 |
54 | U5A | 0.8583 |
55 | 2UZ | 0.8577 |
56 | GLG | 0.8566 |
57 | EXD | 0.8560 |
58 | ALN | 0.8556 |
59 | DHY | 0.8553 |
60 | GIV | 0.8530 |
This union binding pocket(no: 1) in the query (biounit: 2fkf.bio1) has 19 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |