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- Structure Biounit | Ligand Information
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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 | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | MAN BMA MAN MAN MAN MAN MAN | 1 | 1 |
2 | MAN MAN MAN MAN MAN MAN MAN | 0.698795 | 0.942857 |
3 | NAG BMA MAN MAN MAN MAN MAN | 0.658824 | 0.921053 |
4 | MAN AML MAN MAN MAN MAN MAN MAN MAN | 0.648352 | 0.829268 |
5 | NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN | 0.635417 | 0.73913 |
6 | NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.575758 | 0.73913 |
7 | NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN | 0.575472 | 0.693878 |
8 | MMA MAN MAN | 0.536585 | 1 |
9 | NAG BMA MAN MAN NAG GAL NAG GAL | 0.528846 | 0.68 |
10 | BMA MAN MAN NAG GAL NAG | 0.519231 | 0.693878 |
11 | NDG BMA MAN MAN NAG MAN MAN | 0.513761 | 0.693878 |
12 | BMA MAN MAN | 0.512195 | 0.942857 |
13 | BGC GLC GLC GLC GLC | 0.506494 | 0.942857 |
14 | BGC GLC GLC GLC GLC GLC | 0.506494 | 0.942857 |
15 | OPM MAN MAN | 0.505618 | 0.809524 |
16 | YZ0 MAN MAN NAG MAN | 0.504951 | 0.744681 |
17 | NDG BMA MAN MAN NAG GAL NAG | 0.504587 | 0.68 |
18 | NAG NAG BMA MAN MAN NAG GAL NAG | 0.5 | 0.68 |
19 | MAN MAN MAN NAG NAG | 0.494845 | 0.693878 |
20 | BMA MAN MAN MAN MAN | 0.483871 | 0.891892 |
21 | BGC BGC BGC BGC | 0.483146 | 0.942857 |
22 | MAN MAN MAN GLC | 0.476744 | 0.942857 |
23 | MBG GLA | 0.473684 | 1 |
24 | MAN MAN MAN | 0.472527 | 0.916667 |
25 | BMA MAN MAN MAN | 0.472527 | 0.972222 |
26 | BGC GLC GLC | 0.465116 | 0.942857 |
27 | NAG NAG BMA MAN MAN MAN MAN | 0.456897 | 0.641509 |
28 | MAN MAN MAN MAN MAN MAN MAN MAN | 0.456311 | 0.804878 |
29 | BMA Z4Y NAG | 0.454545 | 0.723404 |
30 | H1M MAN MAN | 0.450549 | 0.921053 |
31 | BGC GLC GLC GLC | 0.444444 | 0.942857 |
32 | GLC GLC GLC GLC GLC | 0.444444 | 0.942857 |
33 | KDO MAN MAN MAN MAN MAN | 0.443478 | 0.825 |
34 | NAG BMA MAN MAN MAN MAN | 0.442308 | 0.73913 |
35 | NAG NAG FUL BMA MAN MAN NAG GAL | 0.434426 | 0.62963 |
36 | YZ0 MAN Z4Y NAG MAN | 0.431034 | 0.7 |
37 | BGC GAL NAG NAG GAL GAL | 0.429907 | 0.693878 |
38 | BMA NGT MAN MAN | 0.423077 | 0.666667 |
39 | AXR BXY BXY BXY BXX BXX | 0.421569 | 0.8 |
40 | MBG GAL | 0.419753 | 1 |
41 | BGC GAL GLA | 0.418605 | 0.942857 |
42 | AHR AHR AHR AHR | 0.417722 | 0.810811 |
43 | AHR AHR AHR AHR AHR AHR | 0.417722 | 0.810811 |
44 | AHR AHR AHR AHR AHR | 0.417722 | 0.810811 |
45 | NAG NAG MAN MAN MAN | 0.416667 | 0.693878 |
46 | NAG NAG BMA MAN MAN NAG NAG | 0.415254 | 0.62963 |
47 | 1GN ACY GAL 1GN BGC ACY GAL BGC | 0.415094 | 0.693878 |
48 | AXR BXY BXY BXX | 0.414141 | 0.8 |
49 | C4W NAG FUC BMA MAN MAN NAG | 0.409449 | 0.641509 |
50 | BMA BMA BMA BMA GLA | 0.408602 | 0.942857 |
51 | GLC GLC GLC GLC GLC GLC GLC GLC GLC | 0.408602 | 0.942857 |
52 | GLC GAL BGC FUC | 0.406593 | 0.971429 |
53 | BGC GAL FUC | 0.406593 | 0.971429 |
54 | BGC BGC XYS GAL | 0.40625 | 0.891892 |
55 | BGC BGC BGC BGC BGC | 0.404762 | 0.942857 |
56 | BGC BGC BGC BGC BGC BGC | 0.404762 | 0.942857 |
57 | C4W NAG FUC BMA MAN MAN NAG NAG | 0.404762 | 0.641509 |
58 | BGC BGC BGC BGC BGC BGC BGC | 0.404762 | 0.942857 |
59 | BGC BGC BGC | 0.404762 | 0.942857 |
60 | GLC BGC BGC BGC | 0.404762 | 0.942857 |
61 | BGC BGC XYS XYS GAL | 0.403846 | 0.891892 |
62 | MMA MAN | 0.402439 | 1 |
63 | BGC BGC BGC BGC BGC BGC BGC BGC | 0.4 | 0.942857 |
64 | GAL SO4 GAL | 0.4 | 0.634615 |
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 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 2phw.bio1) has 14 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2phw.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |