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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 4 families. | |||||
1 | 3PC3 | - | P1T | C11 H15 N2 O7 P | Cc1c(c(c(c.... |
2 | 3PC4 | - | KOU | C11 H15 N2 O8 P | Cc1c(c(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 3PC3 | - | P1T | C11 H15 N2 O7 P | Cc1c(c(c(c.... |
2 | 3PC4 | - | KOU | C11 H15 N2 O8 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | KOU | 1 | 1 |
2 | PL6 | 0.761194 | 0.87931 |
3 | F0G | 0.738462 | 0.892857 |
4 | P70 | 0.69863 | 0.894737 |
5 | PUS | 0.69863 | 0.791045 |
6 | PL5 | 0.69863 | 0.836066 |
7 | EPC | 0.676923 | 0.857143 |
8 | FEJ | 0.676056 | 0.912281 |
9 | SER PLP | 0.671429 | 0.910714 |
10 | 5DK | 0.671053 | 0.84127 |
11 | EQJ | 0.671053 | 0.84127 |
12 | 0JO | 0.647059 | 0.864407 |
13 | Q0P | 0.62963 | 0.822581 |
14 | 4LM | 0.623188 | 0.847458 |
15 | EVM | 0.619718 | 0.982143 |
16 | 6DF | 0.616438 | 0.810345 |
17 | PLT | 0.614458 | 0.822581 |
18 | Z98 | 0.608108 | 0.83871 |
19 | FEV | 0.605634 | 0.833333 |
20 | EXT | 0.571429 | 0.862069 |
21 | PLP | 0.555556 | 0.836364 |
22 | MPM | 0.547945 | 0.844828 |
23 | PZP | 0.546875 | 0.839286 |
24 | PLP PHE | 0.542169 | 0.827586 |
25 | AN7 | 0.535211 | 0.807018 |
26 | HCP | 0.533333 | 0.803279 |
27 | P3D | 0.533333 | 0.793651 |
28 | PLP ALO | 0.532468 | 0.859649 |
29 | FOO | 0.527778 | 0.844828 |
30 | PFM | 0.525641 | 0.803279 |
31 | PLP 999 | 0.525641 | 0.859649 |
32 | PLP PVH | 0.517241 | 0.746269 |
33 | P89 | 0.5 | 0.746269 |
34 | PLS | 0.493506 | 0.868852 |
35 | O1G | 0.488372 | 0.83871 |
36 | GLY PLP | 0.486842 | 0.810345 |
37 | 3QP | 0.480519 | 0.807018 |
38 | KET | 0.475 | 0.85 |
39 | PLP ABU | 0.469136 | 0.8 |
40 | PLP MYB | 0.460674 | 0.724638 |
41 | LUK | 0.45977 | 0.768116 |
42 | LUH | 0.45977 | 0.768116 |
43 | PDA | 0.448718 | 0.822581 |
44 | PP3 | 0.448718 | 0.822581 |
45 | PDD | 0.448718 | 0.822581 |
46 | PLP PUT | 0.444444 | 0.761905 |
47 | PLR | 0.439394 | 0.754386 |
48 | TLP | 0.4375 | 0.852459 |
49 | 2BK | 0.4375 | 0.852459 |
50 | 2BO | 0.4375 | 0.852459 |
51 | PXP | 0.434783 | 0.824561 |
52 | C6P | 0.432099 | 0.83871 |
53 | PPD | 0.432099 | 0.83871 |
54 | P0P | 0.428571 | 0.836364 |
55 | PY5 | 0.426829 | 0.787879 |
56 | ILP | 0.416667 | 0.796875 |
57 | PGU | 0.416667 | 0.8125 |
58 | PDG | 0.416667 | 0.8125 |
59 | CBA | 0.416667 | 0.8125 |
60 | 7XF | 0.416667 | 0.8125 |
61 | QLP | 0.411765 | 0.764706 |
62 | L7N | 0.411765 | 0.726027 |
63 | LPI | 0.411765 | 0.753623 |
64 | PLG | 0.410256 | 0.809524 |
65 | PMP | 0.408451 | 0.8 |
66 | CKT | 0.407407 | 0.915254 |
67 | PY6 | 0.406977 | 0.764706 |
68 | 0PR | 0.404494 | 0.825397 |
69 | GT1 | 0.402778 | 0.737705 |
70 | 5PA | 0.402439 | 0.8 |
71 | ORX | 0.402299 | 0.8 |
72 | N5F | 0.402299 | 0.8 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | P1T | 0.9731 |
2 | PLI | 0.9643 |
3 | LCS | 0.9604 |
4 | PLP SER | 0.9541 |
5 | 7TS | 0.9478 |
6 | PLP 2TL | 0.9448 |
7 | DCS | 0.9380 |
8 | PLP GLY | 0.9307 |
9 | OJQ | 0.9219 |
10 | PM9 | 0.9205 |
11 | MET PLP | 0.9201 |
12 | PLP CYS | 0.9196 |
13 | PMH | 0.9166 |
14 | PLP MET | 0.9164 |
15 | PLP AOA | 0.9147 |
16 | IK2 | 0.9141 |
17 | IN5 | 0.9136 |
18 | 3LM | 0.9135 |
19 | PLP 2ML | 0.8988 |
20 | PLP 2KZ | 0.8801 |
21 | ASP PLP | 0.8747 |
22 | 07U | 0.8740 |
23 | LEU PLP | 0.8733 |
24 | PPE | 0.8716 |
25 | PLA | 0.8659 |
26 | PSZ | 0.8657 |
27 | PLP 0A0 | 0.8581 |
28 | PPG | 0.8570 |
29 | YJD | 0.8568 |
30 | P19 | 0.8540 |
31 | 7CU | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 3pc3.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 3pc3.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 3pc3.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |