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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 1205 families. | |||||
1 | 2JLB | Kd = 4.2 uM | UDM | C18 H29 N3 O16 P2 | CC(=O)N[C@.... |
2 | 2XGS | Kd = 0.11 mM | 44P | C10 H16 N2 O11 P2 | C1=CN(C(=O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1039 families. | |||||
1 | 2JLB | Kd = 4.2 uM | UDM | C18 H29 N3 O16 P2 | CC(=O)N[C@.... |
2 | 2XGS | Kd = 0.11 mM | 44P | C10 H16 N2 O11 P2 | C1=CN(C(=O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UDM | 1 | 1 |
2 | URM | 0.755556 | 0.985507 |
3 | 660 | 0.755556 | 0.985507 |
4 | UD2 | 0.683168 | 0.957143 |
5 | UD1 | 0.683168 | 0.957143 |
6 | UDP | 0.636364 | 0.914286 |
7 | HP7 | 0.622642 | 0.942857 |
8 | UPU | 0.617021 | 0.942029 |
9 | UTP | 0.615385 | 0.914286 |
10 | 12V | 0.611111 | 0.930556 |
11 | HWU | 0.611111 | 0.930556 |
12 | MJZ | 0.601852 | 0.916667 |
13 | GDU | 0.59596 | 0.942857 |
14 | UFM | 0.59596 | 0.942857 |
15 | GUD | 0.59596 | 0.942857 |
16 | UPG | 0.59596 | 0.942857 |
17 | UNP | 0.595745 | 0.888889 |
18 | EPZ | 0.59292 | 0.943662 |
19 | UD7 | 0.592593 | 0.929577 |
20 | EEB | 0.587719 | 0.930556 |
21 | EPU | 0.587719 | 0.930556 |
22 | F5G | 0.581818 | 0.929577 |
23 | F5P | 0.581818 | 0.916667 |
24 | UD4 | 0.581818 | 0.916667 |
25 | UDZ | 0.575221 | 0.857143 |
26 | U5P | 0.568182 | 0.9 |
27 | U | 0.568182 | 0.9 |
28 | UGA | 0.567308 | 0.928571 |
29 | UGB | 0.567308 | 0.928571 |
30 | U2F | 0.563107 | 0.891892 |
31 | UPF | 0.563107 | 0.891892 |
32 | Y6W | 0.558824 | 0.944444 |
33 | UPP | 0.554455 | 0.915493 |
34 | 44P | 0.549451 | 0.902778 |
35 | UMA | 0.54918 | 0.943662 |
36 | UFG | 0.548077 | 0.891892 |
37 | 2KH | 0.541667 | 0.888889 |
38 | UDH | 0.539216 | 0.893333 |
39 | USQ | 0.537736 | 0.825 |
40 | UAD | 0.533333 | 0.942857 |
41 | UDX | 0.533333 | 0.942857 |
42 | 3UC | 0.527778 | 0.891892 |
43 | U21 | 0.523438 | 0.884615 |
44 | U20 | 0.523438 | 0.884615 |
45 | U22 | 0.523438 | 0.8625 |
46 | G3N | 0.518519 | 0.916667 |
47 | UDP UDP | 0.515789 | 0.885714 |
48 | 4TC | 0.5 | 0.835443 |
49 | UAG | 0.49635 | 0.918919 |
50 | URI | 0.488372 | 0.84058 |
51 | UP5 | 0.483333 | 0.833333 |
52 | CSV | 0.473684 | 0.855263 |
53 | CSQ | 0.473684 | 0.855263 |
54 | U3P | 0.473118 | 0.885714 |
55 | UA3 | 0.473118 | 0.885714 |
56 | CJB | 0.47191 | 0.826087 |
57 | UD0 | 0.471429 | 0.825 |
58 | U U | 0.46789 | 0.901408 |
59 | 4RA | 0.467626 | 0.835443 |
60 | IUG | 0.466667 | 0.792683 |
61 | UML | 0.456376 | 0.884615 |
62 | 2QR | 0.437956 | 0.85 |
63 | PUP | 0.4375 | 0.915493 |
64 | U1S | 0.429907 | 0.779221 |
65 | A U | 0.425197 | 0.810127 |
66 | PMP UD1 | 0.422535 | 0.814815 |
67 | 7XL | 0.416667 | 0.891892 |
68 | U2P | 0.412371 | 0.9 |
69 | C5G | 0.408696 | 0.891892 |
70 | G U | 0.407692 | 0.771084 |
71 | UAG API | 0.407643 | 0.883117 |
72 | U4S | 0.40404 | 0.736842 |
73 | CDP | 0.403846 | 0.864865 |
This union binding pocket(no: 1) in the query (biounit: 2jlb.bio2) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 4WG0 | CHD | None |
2 | 2QZS | GLC | 1.03093 |
3 | 2QZS | ADP | 1.03093 |
4 | 2QZS | 250 | 1.03093 |
5 | 1G3Q | ADP | 1.68776 |
6 | 6BK3 | UDP | 1.71306 |
7 | 5ENZ | UDP | 1.81818 |
8 | 5NDB | 8TW | 2 |
9 | 2ACV | UDP | 2.15983 |
10 | 4ZDJ | UTP | 2.46479 |
11 | 3NEM | ATP | 2.51142 |
12 | 6CB2 | OLC | 2.73038 |
13 | 3VOZ | 04A | 2.85714 |
14 | 4X1T | UDP | 2.94118 |
15 | 3BEO | UDP | 3.2 |
16 | 3GUZ | PAF | 3.40909 |
17 | 5LX9 | OLB | 3.58306 |
18 | 5NV8 | TRH | 3.58974 |
19 | 2BMB | PMM | 3.66972 |
20 | 3ZUY | TCH | 3.71517 |
21 | 1YQT | ADP | 4.0493 |
22 | 4Z1D | PEP | 4.34783 |
23 | 3CV3 | UDP | 4.6798 |
24 | 1ION | ADP | 4.93827 |
25 | 2BEK | ATP | 5.44747 |
26 | 3G1Z | AMP | 5.52147 |
27 | 1VGV | UD1 | 5.72917 |
28 | 1F6D | UDP | 5.85106 |
29 | 4NES | UDP | 5.88235 |
30 | 3BFV | ADP | 5.90406 |
31 | 1OYJ | GSH | 6.49351 |
32 | 2GEK | GDP | 6.89655 |
33 | 5AOG | IAC | 7.49186 |
34 | 2WTX | UDP | 7.59494 |
35 | 2WTX | VDO | 7.59494 |
36 | 1NJJ | GET | 7.76471 |
37 | 5XVS | UDP | 7.91557 |
38 | 2VCN | ISZ | 8.81226 |
39 | 4XCP | PLM | 10.5882 |
40 | 3RHZ | UDP | 11.5044 |
41 | 4U03 | TLL | 12.4122 |
42 | 3Q3H | UDP | 15.669 |
43 | 3OKP | GDD | 16.2437 |
44 | 3OKA | GDD | 16.7979 |
45 | 4N3A | UDP | 17.7817 |
46 | 4GYW | UDP | 17.7817 |
47 | 6MA3 | JAJ | 17.7817 |
48 | 5BNW | 12V | 46.1538 |