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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 5 families. | |||||
1 | 1I1L | - | PLP 2ML | n/a | n/a |
2 | 1IYD | - | GUA | C5 H8 O4 | C(CC(=O)O).... |
3 | 1I1M | - | 4MV | C6 H12 O2 | CC(C)CCC(=.... |
4 | 1IYE | - | PGU | 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 3 families. | |||||
1 | 1I1L | - | PLP 2ML | n/a | n/a |
2 | 1IYD | - | GUA | C5 H8 O4 | C(CC(=O)O).... |
3 | 1I1M | - | 4MV | C6 H12 O2 | CC(C)CCC(=.... |
4 | 1IYE | - | PGU | C13 H19 N2 O9 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PLP 2ML | 1 | 1 |
2 | PLP 0A0 | 0.760563 | 0.968254 |
3 | PLP SER | 0.621622 | 0.919355 |
4 | LEU PLP | 0.594937 | 0.967742 |
5 | PLP 2TL | 0.589744 | 0.875 |
6 | PLP CYS | 0.576923 | 0.890625 |
7 | PLP BH2 | 0.5625 | 0.846154 |
8 | SEP PLP | 0.5625 | 0.904762 |
9 | GLU PLP | 0.560976 | 0.876923 |
10 | TYR PLP | 0.511364 | 0.890625 |
11 | PLP PMP | 0.5 | 0.83871 |
12 | ASP PLP | 0.488095 | 0.809524 |
13 | PLP 2KZ | 0.481928 | 0.830769 |
14 | PLP HSA | 0.456522 | 0.797101 |
15 | CAN PLP | 0.455556 | 0.826087 |
16 | GAB PLP | 0.414894 | 0.818182 |
17 | PLP ALO | 0.404494 | 0.738462 |
18 | ACZ PLP | 0.40404 | 0.850746 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PLA | 0.9501 |
2 | 3QP | 0.9280 |
3 | C6P | 0.9261 |
4 | PGU | 0.9213 |
5 | CBA | 0.9204 |
6 | ILP | 0.9163 |
7 | KET | 0.9153 |
8 | PPD | 0.9135 |
9 | PM9 | 0.9110 |
10 | PPE | 0.9096 |
11 | PLS | 0.9083 |
12 | PMG | 0.9062 |
13 | AKB PLP | 0.9058 |
14 | CKT | 0.9050 |
15 | 2BO | 0.9013 |
16 | 2BK | 0.9010 |
17 | TLP | 0.9010 |
18 | SER PLP | 0.8993 |
19 | EVM | 0.8988 |
20 | KOU | 0.8988 |
21 | PLP MET | 0.8950 |
22 | PY5 | 0.8944 |
23 | MET PLP | 0.8930 |
24 | PDA | 0.8912 |
25 | PL6 | 0.8909 |
26 | MPM | 0.8889 |
27 | 5PA | 0.8868 |
28 | HCP | 0.8835 |
29 | PDG | 0.8811 |
30 | PY6 | 0.8741 |
31 | DCS | 0.8680 |
32 | PLP 999 | 0.8673 |
33 | 0JO | 0.8663 |
34 | PDD | 0.8658 |
35 | PLI | 0.8637 |
36 | PXG | 0.8630 |
37 | QLP | 0.8577 |
This union binding pocket(no: 1) in the query (biounit: 1iye.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6XU3 | PLG | 41.7763 |
2 | 6XU3 | PLG | 41.7763 |
This union binding pocket(no: 2) in the query (biounit: 1iye.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1iye.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6XU3 | PLG | 41.7763 |
2 | 6XU3 | PLG | 41.7763 |
This union binding pocket(no: 4) in the query (biounit: 1iye.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1iye.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6XU3 | PLG | 41.7763 |
2 | 6XU3 | PLG | 41.7763 |
This union binding pocket(no: 6) in the query (biounit: 1iye.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |