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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 4 families. | |||||
1 | 2V9X | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
2 | 1XS1 | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
3 | 1XS6 | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2V9X | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
2 | 1XS1 | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
3 | 1XS6 | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
4 | 2QXX | - | TTP | C10 H17 N2 O14 P3 | CC1=CN(C(=.... |
5 | 1PKJ | - | DUT | C9 H15 N2 O14 P3 | C1[C@@H]([.... |
6 | 4XJC | - | MG TTP | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DUT | 1 | 1 |
2 | DUD | 0.880597 | 1 |
3 | UMP | 0.753623 | 0.985075 |
4 | DU | 0.753623 | 0.985075 |
5 | DUP | 0.701299 | 0.971014 |
6 | UC5 | 0.68 | 0.985294 |
7 | DUN | 0.662338 | 0.971014 |
8 | DUT MG | 0.6375 | 0.941176 |
9 | TTP | 0.62963 | 0.957143 |
10 | DCP | 0.609756 | 0.929577 |
11 | DUS | 0.608108 | 0.842105 |
12 | UMP AF3 PO4 | 0.60241 | 0.864865 |
13 | UTP | 0.6 | 0.913043 |
14 | DUR | 0.594203 | 0.867647 |
15 | U5F | 0.592593 | 0.913043 |
16 | F6G | 0.564706 | 0.890411 |
17 | TYD | 0.542169 | 0.957143 |
18 | 6U4 | 0.532609 | 0.857143 |
19 | UDP | 0.52439 | 0.913043 |
20 | YYY | 0.52381 | 0.929577 |
21 | UM3 | 0.512821 | 0.941176 |
22 | 8DG | 0.5 | 0.8375 |
23 | DU DU DU DU BRU DU DU | 0.485714 | 0.853333 |
24 | DDN | 0.481481 | 0.985075 |
25 | UFP | 0.46988 | 0.916667 |
26 | DAU | 0.46 | 0.891892 |
27 | DDU | 0.459459 | 0.742857 |
28 | UNP | 0.455556 | 0.887324 |
29 | TLO | 0.453608 | 0.90411 |
30 | 1JB | 0.45 | 0.891892 |
31 | 18T | 0.45 | 0.891892 |
32 | TRH | 0.45 | 0.891892 |
33 | UAD | 0.44898 | 0.887324 |
34 | UDX | 0.44898 | 0.887324 |
35 | 5HU | 0.447059 | 0.957143 |
36 | TMP | 0.447059 | 0.942857 |
37 | BRU | 0.447059 | 0.916667 |
38 | 0FX | 0.446602 | 0.868421 |
39 | DU4 | 0.445652 | 0.75 |
40 | 5IU | 0.44186 | 0.916667 |
41 | T3F | 0.441176 | 0.868421 |
42 | T3Q | 0.441176 | 0.868421 |
43 | DU3 | 0.43956 | 0.794521 |
44 | DUA | 0.43956 | 0.797297 |
45 | DGT | 0.438776 | 0.7875 |
46 | 139 | 0.438596 | 0.8125 |
47 | UDH | 0.4375 | 0.891892 |
48 | T46 | 0.436893 | 0.891892 |
49 | TDX | 0.435644 | 0.90411 |
50 | 3R2 | 0.435644 | 0.88 |
51 | U5P | 0.433735 | 0.898551 |
52 | U | 0.433735 | 0.898551 |
53 | UPG | 0.43299 | 0.861111 |
54 | GDU | 0.43299 | 0.861111 |
55 | UFM | 0.43299 | 0.861111 |
56 | MMF | 0.432692 | 0.868421 |
57 | DCM | 0.430233 | 0.915493 |
58 | DC | 0.430233 | 0.915493 |
59 | 3YN | 0.427184 | 0.891892 |
60 | DWN | 0.427184 | 0.868421 |
61 | 8GD | 0.427083 | 0.8375 |
62 | QDM | 0.424528 | 0.857143 |
63 | BUP | 0.423913 | 0.851351 |
64 | 0N2 | 0.423077 | 0.857143 |
65 | UPP | 0.42268 | 0.861111 |
66 | 523 | 0.421053 | 0.881579 |
67 | AKM | 0.420561 | 0.848101 |
68 | FNF | 0.420561 | 0.88 |
69 | 1YF | 0.420561 | 0.88 |
70 | UFG | 0.42 | 0.815789 |
71 | U2F | 0.42 | 0.815789 |
72 | UPF | 0.42 | 0.815789 |
73 | 8DD | 0.418367 | 0.844156 |
74 | URM | 0.418367 | 0.901408 |
75 | 660 | 0.418367 | 0.901408 |
76 | 2KH | 0.417582 | 0.887324 |
77 | 3UC | 0.417476 | 0.815789 |
78 | 4TG | 0.416667 | 0.88 |
79 | 0KX | 0.414894 | 0.90411 |
80 | UPU | 0.414894 | 0.859155 |
81 | AWU | 0.414141 | 0.861111 |
82 | D3T | 0.413043 | 0.929577 |
83 | BVP | 0.413043 | 0.929577 |
84 | PUA | 0.409836 | 0.846154 |
85 | G3N | 0.407767 | 0.888889 |
86 | JHZ | 0.407407 | 0.846154 |
87 | 44P | 0.402299 | 0.928571 |
88 | T5A | 0.401709 | 0.804878 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MG TTP | 0.9799 |
2 | DTP | 0.9505 |
3 | HF4 | 0.9484 |
4 | DZ4 | 0.9437 |
5 | HF7 | 0.9182 |
6 | HEJ | 0.9078 |
7 | CTP | 0.9057 |
8 | HDV | 0.9022 |
9 | 2TM | 0.8920 |
10 | GTF | 0.8904 |
11 | FZQ | 0.8882 |
12 | DCT | 0.8862 |
13 | ANP | 0.8825 |
14 | FZK | 0.8822 |
15 | 7D4 | 0.8807 |
16 | ATP | 0.8788 |
17 | HFD | 0.8634 |
18 | CDP | 0.8631 |
19 | 3AT | 0.8618 |
20 | FZT | 0.8615 |
21 | ACP | 0.8592 |
This union binding pocket(no: 1) in the query (biounit: 1xs1.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1xs1.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1xs1.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1xs1.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |