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- Structure Biounit | Ligand Information
- 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 21 families. | |||||
1 | 4EDG | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 4EDK | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
3 | 4EDR | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
4 | 4EDV | - | 0O2 | C10 H18 N5 O20 P5 | c1nc2c(n1[.... |
5 | 4EE1 | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
6 | 4EDT | - | G4P | C10 H17 N5 O17 P4 | c1nc2c(n1[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 20 families. | |||||
1 | 4EDG | - | ATP | C10 H16 N5 O13 P3 | c1nc(c2c(n.... |
2 | 4EDK | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
3 | 4EDR | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
4 | 4EDV | - | 0O2 | C10 H18 N5 O20 P5 | c1nc2c(n1[.... |
5 | 4EE1 | - | CTP | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
6 | 4EDT | - | G4P | C10 H17 N5 O17 P4 | c1nc2c(n1[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0O2 | 1 | 1 |
2 | G4P | 0.905882 | 1 |
3 | G3D | 0.797753 | 1 |
4 | GTP | 0.736264 | 0.986486 |
5 | GP3 | 0.673913 | 0.960526 |
6 | GSP | 0.666667 | 0.935897 |
7 | GDP | 0.666667 | 0.986486 |
8 | 3GP | 0.644444 | 0.959459 |
9 | C1Z | 0.643564 | 1 |
10 | GH3 | 0.642857 | 0.986486 |
11 | GNH | 0.625 | 0.973333 |
12 | DGT | 0.622449 | 0.935065 |
13 | GAV | 0.62 | 0.948052 |
14 | GNP | 0.616162 | 0.960526 |
15 | 9GM | 0.616162 | 0.960526 |
16 | G1R | 0.606061 | 0.973333 |
17 | GKE | 0.603774 | 0.948052 |
18 | GDD | 0.603774 | 0.948052 |
19 | GDC | 0.603774 | 0.948052 |
20 | G | 0.595745 | 0.972973 |
21 | 5GP | 0.595745 | 0.972973 |
22 | GCP | 0.59 | 0.960526 |
23 | BGO | 0.587719 | 0.935897 |
24 | GPG | 0.580952 | 0.948052 |
25 | 6CK | 0.577982 | 0.924051 |
26 | G5P | 0.572727 | 0.960526 |
27 | G2R | 0.571429 | 0.948052 |
28 | GFB | 0.568807 | 0.948052 |
29 | GTG | 0.568807 | 0.924051 |
30 | GDR | 0.568807 | 0.948052 |
31 | G2P | 0.568627 | 0.948052 |
32 | GMV | 0.564356 | 0.960526 |
33 | G3A | 0.563636 | 0.960526 |
34 | GPD | 0.5625 | 0.9125 |
35 | GMP | 0.561798 | 0.866667 |
36 | JB2 | 0.553571 | 0.948052 |
37 | GKD | 0.553571 | 0.948052 |
38 | DGI | 0.55 | 0.935065 |
39 | GP2 | 0.55 | 0.948052 |
40 | GDX | 0.548673 | 0.960526 |
41 | GGM | 0.546219 | 0.9125 |
42 | Y9Z | 0.545455 | 0.890244 |
43 | GDP BEF | 0.543689 | 0.922078 |
44 | 2GP | 0.541667 | 0.972973 |
45 | GTP MG | 0.538462 | 0.946667 |
46 | CG2 | 0.537815 | 0.924051 |
47 | GPX | 0.537736 | 0.959459 |
48 | ALF 5GP | 0.533981 | 0.876543 |
49 | JB3 | 0.525424 | 0.935897 |
50 | U2G | 0.521008 | 0.924051 |
51 | G C | 0.520661 | 0.8875 |
52 | GDP ALF | 0.518519 | 0.876543 |
53 | GDP AF3 | 0.518519 | 0.876543 |
54 | YGP | 0.508929 | 0.888889 |
55 | NGD | 0.508333 | 0.948052 |
56 | CAG | 0.508065 | 0.869048 |
57 | APC G U | 0.503937 | 0.897436 |
58 | QBQ | 0.5 | 0.972973 |
59 | TPG | 0.496124 | 0.829545 |
60 | 2MD | 0.495935 | 0.879518 |
61 | G1G | 0.488189 | 0.9125 |
62 | KB7 | 0.485714 | 0.814815 |
63 | GPC | 0.484127 | 0.86747 |
64 | MGD | 0.484127 | 0.879518 |
65 | FEG | 0.483607 | 0.86747 |
66 | ZGP | 0.479675 | 0.857143 |
67 | GDP 7MG | 0.478632 | 0.898734 |
68 | DGP | 0.475248 | 0.922078 |
69 | DG | 0.475248 | 0.922078 |
70 | DBG | 0.473282 | 0.935897 |
71 | P2G | 0.470588 | 0.894737 |
72 | MGP | 0.46729 | 0.948052 |
73 | 6G0 | 0.462963 | 0.948052 |
74 | P1G | 0.461538 | 0.883117 |
75 | MD1 | 0.458015 | 0.879518 |
76 | PGD | 0.458015 | 0.9125 |
77 | KBD | 0.45614 | 0.814815 |
78 | G4M | 0.45 | 0.869048 |
79 | UCG | 0.447761 | 0.923077 |
80 | KBJ | 0.440678 | 0.785714 |
81 | AKW | 0.436508 | 0.878049 |
82 | CZF | 0.435185 | 0.92 |
83 | 01G | 0.432203 | 0.890244 |
84 | PAP | 0.429907 | 0.918919 |
85 | CGP | 0.429688 | 0.878049 |
86 | FE9 | 0.428571 | 0.765957 |
87 | I2C FE2 CMO CMO | 0.41791 | 0.797753 |
88 | IDP | 0.416667 | 0.959459 |
89 | PGD O | 0.416058 | 0.83908 |
90 | SGP | 0.415094 | 0.8375 |
91 | G1R G1R | 0.408759 | 0.911392 |
92 | AGO | 0.401515 | 0.9 |
93 | G 5MC C U | 0.401274 | 0.878049 |
94 | 35G | 0.4 | 0.945946 |
95 | C2E | 0.4 | 0.933333 |
96 | PCG | 0.4 | 0.945946 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4edk.bio1) has 21 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |