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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 4 families. | |||||
1 | 1Y7L | Ki = 130 nM | GLY ILE ASP ASP GLY MET ASN LEU ASN ILE | n/a | n/a |
2 | 3IQG | Kd = 24.9 uM | MET ASN TRP ASN ILE | n/a | n/a |
3 | 3IQH | Kd = 25.8 uM | MET ASN TYR ASP ILE | n/a | n/a |
4 | 3IQI | Kd = 38.7 uM | MET ASN GLU ASN ILE | n/a | n/a |
5 | 4LMB | Kd = 186 uM | CYS CYS | n/a | n/a |
6 | 1D6S | Kd = 78 uM | MET PLP | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 1Y7L | Ki = 130 nM | GLY ILE ASP ASP GLY MET ASN LEU ASN ILE | n/a | n/a |
2 | 3IQG | Kd = 24.9 uM | MET ASN TRP ASN ILE | n/a | n/a |
3 | 3IQH | Kd = 25.8 uM | MET ASN TYR ASP ILE | n/a | n/a |
4 | 3IQI | Kd = 38.7 uM | MET ASN GLU ASN ILE | n/a | n/a |
5 | 4LMB | Kd = 186 uM | CYS CYS | n/a | n/a |
6 | 5I7A | Kd = 0.32 uM | 68Q | C14 H10 Cl2 N2 O3 | c1cc(cc(c1.... |
7 | 5I7R | Kd = 1.7 uM | 68W | C20 H16 N2 O3 | c1ccc(cc1).... |
8 | 5I7O | Kd = 3.4 uM | S16 | C14 H11 Cl N2 O3 | c1cc(cc(c1.... |
9 | 5I6D | Kd = 8 uM | AU6 | C15 H14 N2 O3 | Cc1ccc(cc1.... |
10 | 5IW8 | Kd = 2.2 uM | 6EC | C20 H16 N2 O4 | c1ccc(cc1).... |
11 | 3X44 | - | PUS | C12 H17 N4 O9 P | Cc1c(c(c(c.... |
12 | 2Q3D | - | PDA | C11 H17 N2 O7 P | Cc1c(c(c(c.... |
13 | 2Q3C | Ki = 5 uM | ASP PHE SER ILE | n/a | n/a |
14 | 3ZEI | ic50 = 0.103 uM | AWH | C20 H16 N2 O6 S | CN1C(=O)/C.... |
15 | 4IL5 | - | ILE | C6 H13 N O2 | CC[C@H](C).... |
16 | 4JBN | - | SER PRO SER ILE | n/a | n/a |
17 | 4JBL | Kd = 0.54 mM | MET | C5 H11 N O2 S | CSCC[C@@H].... |
18 | 3BM5 | Kd = 1.1 mM | CYS | C3 H7 N O2 S | C([C@@H](C.... |
19 | 1D6S | Kd = 78 uM | MET PLP | n/a | n/a |
20 | 3VC3 | - | C6P | C11 H17 N2 O7 P S | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | MET PLP | 1.0000 |
2 | PLP MET | 0.9992 |
3 | C6P | 0.9523 |
4 | EVM | 0.9363 |
5 | PLS | 0.9264 |
6 | PUS | 0.9235 |
7 | KOU | 0.9201 |
8 | PLP SER | 0.9201 |
9 | PDA | 0.9159 |
10 | PM9 | 0.9135 |
11 | SER PLP | 0.9132 |
12 | 2BO | 0.9100 |
13 | PGU | 0.9073 |
14 | TLP | 0.9051 |
15 | P1T | 0.9034 |
16 | 5PA | 0.9033 |
17 | 0JO | 0.9008 |
18 | 2BK | 0.8960 |
19 | PP3 | 0.8957 |
20 | PLP 2ML | 0.8930 |
21 | PLP ALO | 0.8915 |
22 | F0G | 0.8887 |
23 | PLI | 0.8874 |
24 | CKT | 0.8868 |
25 | PLP CYS | 0.8814 |
26 | PL6 | 0.8814 |
27 | 3LM | 0.8788 |
28 | PPD | 0.8742 |
29 | PLG | 0.8712 |
30 | PY5 | 0.8711 |
31 | PLA | 0.8692 |
32 | LCS | 0.8690 |
33 | P71 | 0.8673 |
34 | ILP | 0.8664 |
35 | AN7 | 0.8655 |
36 | PLP GLY | 0.8648 |
37 | IK2 | 0.8644 |
38 | KET | 0.8638 |
39 | DCS | 0.8629 |
40 | GLY PLP | 0.8617 |
41 | ASP PLP | 0.8579 |
42 | PY6 | 0.8548 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | PLP MET | 1.0000 |
2 | MET PLP | 0.9992 |
3 | C6P | 0.9498 |
4 | EVM | 0.9344 |
5 | PUS | 0.9239 |
6 | PLS | 0.9232 |
7 | KOU | 0.9164 |
8 | PDA | 0.9142 |
9 | SER PLP | 0.9135 |
10 | PLP SER | 0.9110 |
11 | PM9 | 0.9100 |
12 | 2BO | 0.9081 |
13 | PGU | 0.9073 |
14 | 0JO | 0.9038 |
15 | P1T | 0.9024 |
16 | 5PA | 0.9001 |
17 | TLP | 0.9000 |
18 | 2BK | 0.8985 |
19 | PLP 2ML | 0.8950 |
20 | PP3 | 0.8918 |
21 | PLP ALO | 0.8917 |
22 | PLI | 0.8862 |
23 | F0G | 0.8862 |
24 | CKT | 0.8855 |
25 | PLP CYS | 0.8828 |
26 | 3LM | 0.8788 |
27 | PPD | 0.8776 |
28 | PLA | 0.8728 |
29 | LCS | 0.8723 |
30 | PLG | 0.8712 |
31 | P71 | 0.8711 |
32 | KET | 0.8686 |
33 | DCS | 0.8683 |
34 | PY5 | 0.8664 |
35 | PLP GLY | 0.8622 |
36 | AN7 | 0.8612 |
37 | GLY PLP | 0.8607 |
38 | ASP PLP | 0.8596 |
39 | IK2 | 0.8595 |
40 | PLP 0A0 | 0.8591 |
41 | ILP | 0.8552 |
42 | PMG | 0.8545 |
This union binding pocket(no: 1) in the query (biounit: 1d6s.bio1) has 24 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5B3A | 0JO | 44.7205 |
2 | 5B3A | 0JO | 44.7205 |
This union binding pocket(no: 2) in the query (biounit: 1d6s.bio1) has 25 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 5B3A | 0JO | 44.7205 |
2 | 5B3A | 0JO | 44.7205 |