Receptor
PDB id Resolution Class Description Source Keywords
1PS6 2.25 Å EC: 1.1.1.262 CRYSTAL STRUCTURE OF E.COLI PDXA ESCHERICHIA COLI PDXA; 4-HYDROXYTHREONINE-4-PHOSPHATE DEHYDROGENASE; PYRIDOXAPHOSPHATE BIOSYNTHESIS; PLP OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI PDXA, AN ENZY INVOLVED IN THE PYRIDOXAL PHOSPHATE BIOSYNTHESIS PA J.BIOL.CHEM. V. 278 43682 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4TP A:332;
Valid;
none;
submit data
215.098 C4 H10 N O7 P C([C@...
ZN A:330;
B:331;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PS6 2.25 Å EC: 1.1.1.262 CRYSTAL STRUCTURE OF E.COLI PDXA ESCHERICHIA COLI PDXA; 4-HYDROXYTHREONINE-4-PHOSPHATE DEHYDROGENASE; PYRIDOXAPHOSPHATE BIOSYNTHESIS; PLP OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI PDXA, AN ENZY INVOLVED IN THE PYRIDOXAL PHOSPHATE BIOSYNTHESIS PA J.BIOL.CHEM. V. 278 43682 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PS6 - 4TP C4 H10 N O7 P C([C@H]([C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PS6 - 4TP C4 H10 N O7 P C([C@H]([C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1PS6 - 4TP C4 H10 N O7 P C([C@H]([C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 4TP; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 4TP 1 1
2 DER 0.567568 0.829268
3 DEZ 0.567568 0.829268
4 R10 0.525 0.829268
5 PA5 0.525 0.829268
6 SEP 0.513514 0.833333
7 6PG 0.5 0.829268
8 LG6 0.5 0.829268
9 HG3 0.5 0.731707
10 3PG 0.5 0.780488
11 DXP 0.475 0.72093
12 M2P 0.472222 0.761905
13 GOS 0.472222 0.761905
14 5SP 0.452381 0.75
15 5RP 0.452381 0.75
16 HMS 0.452381 0.75
17 AGP 0.44186 0.863636
18 XBP 0.44186 0.744186
19 M6R 0.44186 0.863636
20 RES 0.44186 0.8125
21 RUB 0.44186 0.744186
22 E4P 0.435897 0.756098
23 KD0 0.434783 0.829268
24 9C2 0.434783 0.833333
25 F6R 0.431818 0.767442
26 TG6 0.431818 0.767442
27 A5P 0.425 0.704545
28 LXP 0.425 0.704545
29 LX1 0.425 0.72093
30 DX5 0.425 0.704545
31 52L 0.416667 0.791667
32 CAP 0.416667 0.772727
33 DG2 0.414634 0.756098
34 S6P 0.414634 0.72093
35 P6F 0.413043 0.785714
36 PAN 0.413043 0.8125
37 2FP 0.413043 0.785714
38 I22 0.413043 0.767442
39 P6T 0.413043 0.785714
40 1NT 0.403846 0.829268
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1PS6; Ligand: 4TP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1ps6.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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