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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 197 families. | |||||
1 | 1TUK | - | PGM | C22 H44 O9 P | CCCCCCCCCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 165 families. | |||||
1 | 1TUK | - | PGM | C22 H44 O9 P | CCCCCCCCCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PGM | 1 | 1 |
2 | PG8 | 0.681818 | 0.977273 |
3 | NKN | 0.672414 | 0.888889 |
4 | NKO | 0.672414 | 0.888889 |
5 | GYM | 0.666667 | 0.744186 |
6 | EKG | 0.666667 | 0.744186 |
7 | 1QW | 0.666667 | 0.744186 |
8 | CDL | 0.641791 | 0.886364 |
9 | AGA | 0.637681 | 0.977273 |
10 | P3A | 0.623377 | 0.955556 |
11 | NKP | 0.58209 | 0.869565 |
12 | LPX | 0.58209 | 0.788462 |
13 | OLC | 0.571429 | 0.727273 |
14 | OLB | 0.571429 | 0.727273 |
15 | LAP | 0.557143 | 0.719298 |
16 | K6G | 0.557143 | 0.719298 |
17 | LPC | 0.557143 | 0.719298 |
18 | LP3 | 0.557143 | 0.719298 |
19 | MVC | 0.546875 | 0.727273 |
20 | 78N | 0.53125 | 0.727273 |
21 | 78M | 0.53125 | 0.727273 |
22 | PGT | 0.520548 | 0.933333 |
23 | LHG | 0.520548 | 0.933333 |
24 | 1WV | 0.515625 | 0.727273 |
25 | S12 | 0.5 | 0.788462 |
26 | 42H | 0.493671 | 0.706897 |
27 | PX2 | 0.492754 | 0.866667 |
28 | PX8 | 0.492754 | 0.866667 |
29 | L2C | 0.484375 | 0.681818 |
30 | DGA | 0.484375 | 0.681818 |
31 | 1EM | 0.484375 | 0.681818 |
32 | DDR | 0.484375 | 0.681818 |
33 | FAW | 0.484375 | 0.681818 |
34 | PA8 | 0.478261 | 0.866667 |
35 | CD4 | 0.472973 | 0.888889 |
36 | PGW | 0.463415 | 0.913043 |
37 | D3D | 0.463415 | 0.913043 |
38 | PC1 | 0.461538 | 0.672727 |
39 | MC3 | 0.461538 | 0.672727 |
40 | PCF | 0.461538 | 0.672727 |
41 | PGV | 0.457831 | 0.913043 |
42 | DR9 | 0.457831 | 0.913043 |
43 | F57 | 0.457143 | 0.847826 |
44 | 7PH | 0.457143 | 0.847826 |
45 | LPP | 0.457143 | 0.847826 |
46 | 6PH | 0.457143 | 0.847826 |
47 | 3PH | 0.457143 | 0.847826 |
48 | PGK | 0.452381 | 0.875 |
49 | P6L | 0.452381 | 0.913043 |
50 | 7P9 | 0.450704 | 0.847826 |
51 | OZ2 | 0.447059 | 0.913043 |
52 | TGL | 0.444444 | 0.636364 |
53 | CN6 | 0.4375 | 0.888889 |
54 | DGG | 0.436782 | 0.875 |
55 | LBR | 0.43662 | 0.666667 |
56 | PVC | 0.434783 | 0.680851 |
57 | CN5 | 0.428571 | 0.869565 |
58 | CN3 | 0.426829 | 0.888889 |
59 | 44G | 0.426667 | 0.933333 |
60 | 1AG | 0.414286 | 0.727273 |
61 | LBN | 0.413793 | 0.660714 |
62 | L9R | 0.413793 | 0.660714 |
63 | POV | 0.413793 | 0.660714 |
64 | P5S | 0.4125 | 0.788462 |
65 | 3PE | 0.410256 | 0.773585 |
66 | 8PE | 0.410256 | 0.773585 |
67 | PEF | 0.410256 | 0.773585 |
68 | PEH | 0.410256 | 0.773585 |
69 | PEV | 0.410256 | 0.773585 |
70 | PTY | 0.410256 | 0.773585 |
71 | G2A | 0.409836 | 0.681818 |
72 | 2JT | 0.409836 | 0.681818 |
73 | PD7 | 0.408451 | 0.847826 |
74 | M7U | 0.405063 | 0.847826 |
75 | D21 | 0.405063 | 0.829787 |
76 | PEE | 0.405063 | 0.792453 |
77 | 9PE | 0.405063 | 0.773585 |
78 | PIE | 0.404494 | 0.784314 |
79 | 8SP | 0.4 | 0.788462 |
80 | BQ9 | 0.4 | 0.666667 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1tuk.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1tuk.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |