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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 10 families. | |||||
1 | 1AJS | - | PLA | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 1AJS | - | PLA | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PLA | 1 | 1 |
2 | PMG | 0.782609 | 0.969231 |
3 | PLG | 0.637681 | 0.90625 |
4 | CBA | 0.626667 | 0.823529 |
5 | IK2 | 0.60274 | 0.865672 |
6 | 76U | 0.589744 | 0.865672 |
7 | PP3 | 0.589041 | 0.920635 |
8 | PDA | 0.589041 | 0.920635 |
9 | P1T | 0.589041 | 0.865672 |
10 | PDD | 0.589041 | 0.920635 |
11 | PPD | 0.586667 | 0.936508 |
12 | PGU | 0.584416 | 0.907692 |
13 | PDG | 0.584416 | 0.907692 |
14 | TLP | 0.573333 | 0.890625 |
15 | 5PA | 0.573333 | 0.893939 |
16 | PLS | 0.573333 | 0.90625 |
17 | 2BK | 0.573333 | 0.890625 |
18 | 2BO | 0.573333 | 0.890625 |
19 | C6P | 0.565789 | 0.90625 |
20 | N5F | 0.5625 | 0.893939 |
21 | EA5 | 0.5625 | 0.867647 |
22 | DN9 | 0.559524 | 0.833333 |
23 | PY5 | 0.558442 | 0.909091 |
24 | IN5 | 0.547945 | 0.888889 |
25 | 7XF | 0.544304 | 0.878788 |
26 | ILP | 0.544304 | 0.892308 |
27 | PSZ | 0.54321 | 0.763889 |
28 | PXG | 0.542169 | 0.820895 |
29 | 33P | 0.539474 | 0.875 |
30 | LPI | 0.5375 | 0.897059 |
31 | QLP | 0.5375 | 0.855072 |
32 | HEY | 0.530864 | 0.852941 |
33 | PY6 | 0.530864 | 0.910448 |
34 | KAM | 0.529412 | 0.893939 |
35 | 3LM | 0.52439 | 0.828571 |
36 | ORX | 0.52439 | 0.865672 |
37 | PL4 | 0.52381 | 0.865672 |
38 | RW2 | 0.52381 | 0.814286 |
39 | PXP | 0.522388 | 0.75 |
40 | PE1 | 0.518072 | 0.865672 |
41 | PMP | 0.514706 | 0.8125 |
42 | PMH | 0.512821 | 0.670886 |
43 | GT1 | 0.507246 | 0.727273 |
44 | 0PR | 0.505882 | 0.892308 |
45 | AQ3 | 0.505618 | 0.852941 |
46 | DCS | 0.5 | 0.730769 |
47 | PL2 | 0.5 | 0.75 |
48 | 9YM | 0.5 | 0.797101 |
49 | 7TS | 0.487805 | 0.679012 |
50 | CKT | 0.481013 | 0.833333 |
51 | PL8 | 0.449438 | 0.773333 |
52 | RMT | 0.444444 | 0.757143 |
53 | PLR | 0.441176 | 0.714286 |
54 | 1D0 | 0.44086 | 0.814286 |
55 | 7B9 | 0.43956 | 0.805556 |
56 | PLP 2KZ | 0.433735 | 0.791045 |
57 | PPG | 0.433333 | 0.838235 |
58 | OJQ | 0.411765 | 0.654321 |
59 | PLP | 0.402778 | 0.703125 |
60 | GAB PLP | 0.402174 | 0.779412 |
61 | AN7 | 0.4 | 0.707692 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PLP 0A0 | 0.9879 |
2 | PPE | 0.9619 |
3 | 3QP | 0.9607 |
4 | KET | 0.9568 |
5 | PL6 | 0.9540 |
6 | PLP 2ML | 0.9501 |
7 | ASP PLP | 0.9107 |
8 | PLP ALO | 0.8973 |
9 | PLP CYS | 0.8951 |
10 | PLP SER | 0.8945 |
11 | SER PLP | 0.8936 |
12 | PLP PHE | 0.8917 |
13 | HCP | 0.8892 |
14 | PM9 | 0.8775 |
15 | PLP 2TL | 0.8748 |
16 | PLP MET | 0.8728 |
17 | MPM | 0.8723 |
18 | L7N | 0.8697 |
19 | MET PLP | 0.8692 |
20 | 4LM | 0.8682 |
21 | EVM | 0.8682 |
22 | KOU | 0.8659 |
23 | TYR PLP | 0.8658 |
24 | 0JO | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 1ajs.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |