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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 277 families. | |||||
1 | 5I49 | - | 2KH | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
2 | 5IDO | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 212 families. | |||||
1 | 5I49 | - | 2KH | C9 H16 N3 O14 P3 | C1=CN(C(=O.... |
2 | 5IDO | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 2KH | 1 | 1 |
2 | U5P | 0.735294 | 0.955224 |
3 | U | 0.735294 | 0.955224 |
4 | UDP | 0.722222 | 0.970149 |
5 | UNP | 0.710526 | 1 |
6 | UTP | 0.693333 | 0.970149 |
7 | U5F | 0.684211 | 0.970149 |
8 | 44P | 0.680556 | 0.928571 |
9 | UDP UDP | 0.653333 | 0.911765 |
10 | UPU | 0.609756 | 0.913043 |
11 | URM | 0.604651 | 0.901408 |
12 | 660 | 0.604651 | 0.901408 |
13 | GDU | 0.586207 | 0.914286 |
14 | UFM | 0.586207 | 0.914286 |
15 | UPG | 0.586207 | 0.914286 |
16 | DUP | 0.585366 | 0.915493 |
17 | UPP | 0.574713 | 0.914286 |
18 | UDH | 0.574713 | 0.842105 |
19 | UFG | 0.566667 | 0.864865 |
20 | UPF | 0.566667 | 0.864865 |
21 | U2F | 0.566667 | 0.864865 |
22 | URI | 0.565217 | 0.838235 |
23 | AWU | 0.561798 | 0.914286 |
24 | Y6W | 0.561798 | 0.864865 |
25 | UAD | 0.549451 | 0.914286 |
26 | UDX | 0.549451 | 0.914286 |
27 | UDP GAL | 0.549451 | 0.887324 |
28 | 3UC | 0.542553 | 0.864865 |
29 | UDM | 0.541667 | 0.888889 |
30 | USQ | 0.537634 | 0.8 |
31 | UGA | 0.537634 | 0.927536 |
32 | UGB | 0.537634 | 0.927536 |
33 | UGF | 0.531915 | 0.876712 |
34 | G3N | 0.531915 | 0.888889 |
35 | UD1 | 0.530612 | 0.901408 |
36 | UD2 | 0.530612 | 0.901408 |
37 | CJB | 0.520548 | 0.797101 |
38 | FZK | 0.505618 | 0.780488 |
39 | UD7 | 0.504951 | 0.901408 |
40 | HP7 | 0.504951 | 0.914286 |
41 | U3P | 0.5 | 0.911765 |
42 | UA3 | 0.5 | 0.911765 |
43 | MJZ | 0.5 | 0.888889 |
44 | UD4 | 0.495146 | 0.888889 |
45 | HWU | 0.495146 | 0.876712 |
46 | 12V | 0.495146 | 0.876712 |
47 | F5G | 0.495146 | 0.901408 |
48 | F5P | 0.495146 | 0.888889 |
49 | CSV | 0.494949 | 0.828947 |
50 | CSQ | 0.494949 | 0.828947 |
51 | U4S | 0.4875 | 0.733333 |
52 | LSU | 0.483871 | 0.741176 |
53 | EPZ | 0.481481 | 0.888889 |
54 | EEB | 0.477064 | 0.876712 |
55 | EPU | 0.477064 | 0.876712 |
56 | UDZ | 0.476636 | 0.88 |
57 | UP5 | 0.476636 | 0.831169 |
58 | U3S | 0.47561 | 0.733333 |
59 | U2S | 0.47561 | 0.746667 |
60 | IUG | 0.471698 | 0.835443 |
61 | YSU | 0.464646 | 0.75 |
62 | U2P | 0.4625 | 0.926471 |
63 | U1S | 0.461538 | 0.730769 |
64 | DUN | 0.45977 | 0.915493 |
65 | 4TC | 0.454545 | 0.810127 |
66 | UMA | 0.444444 | 0.888889 |
67 | DKX | 0.443038 | 0.726027 |
68 | 5BU | 0.440476 | 0.888889 |
69 | PUP | 0.438776 | 0.887324 |
70 | 5FU | 0.433735 | 0.888889 |
71 | CDP | 0.431818 | 0.915493 |
72 | CAR | 0.428571 | 0.901408 |
73 | BUP | 0.428571 | 0.902778 |
74 | C | 0.428571 | 0.901408 |
75 | C5P | 0.428571 | 0.901408 |
76 | 2TM | 0.423913 | 0.878378 |
77 | U21 | 0.422764 | 0.790123 |
78 | U20 | 0.422764 | 0.790123 |
79 | U22 | 0.422764 | 0.771084 |
80 | UTP U U U | 0.42268 | 0.869565 |
81 | UMF | 0.421687 | 0.833333 |
82 | DUD | 0.420455 | 0.887324 |
83 | 16B | 0.418605 | 0.890411 |
84 | DUT | 0.417582 | 0.887324 |
85 | HF4 | 0.417582 | 0.915493 |
86 | CTP | 0.417582 | 0.915493 |
87 | 2QR | 0.416 | 0.802469 |
88 | UUA | 0.415584 | 0.75 |
89 | UMP | 0.411765 | 0.873239 |
90 | DU | 0.411765 | 0.873239 |
91 | CNU | 0.409091 | 0.901408 |
92 | 5GW | 0.40625 | 0.915493 |
93 | 4RA | 0.40458 | 0.833333 |
94 | N3E | 0.404494 | 0.714286 |
95 | UC5 | 0.404494 | 0.875 |
96 | 0KX | 0.404255 | 0.853333 |
97 | S5P | 0.4 | 0.890411 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | D3T | 0.9355 |
2 | DCP | 0.9268 |
3 | APC | 0.9199 |
4 | AGS | 0.9090 |
5 | ATP | 0.8972 |
6 | 3AT | 0.8966 |
7 | DCT | 0.8956 |
8 | GTP | 0.8870 |
9 | ANP | 0.8853 |
10 | TTP | 0.8825 |
11 | DGT | 0.8809 |
12 | ADP ALF | 0.8770 |
13 | ADP BEF | 0.8765 |
14 | ACP | 0.8740 |
15 | GH3 | 0.8726 |
16 | DTP | 0.8700 |
17 | HEJ | 0.8596 |
18 | TYD | 0.8564 |
19 | YYY | 0.8540 |
20 | AHX | 0.8514 |
This union binding pocket(no: 1) in the query (biounit: 5i49.bio1) has 16 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 2Q0D | ATP | 31.4448 |