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 PA5 0.525 0.829268
5 R10 0.525 0.829268
6 SEP 0.513514 0.833333
7 3PG 0.5 0.780488
8 LG6 0.5 0.829268
9 6PG 0.5 0.829268
10 HG3 0.5 0.731707
11 DXP 0.475 0.72093
12 M2P 0.472222 0.761905
13 GOS 0.472222 0.761905
14 5RP 0.452381 0.75
15 HMS 0.452381 0.75
16 5SP 0.452381 0.75
17 M6R 0.44186 0.863636
18 RES 0.44186 0.8125
19 XBP 0.44186 0.744186
20 RUB 0.44186 0.744186
21 AGP 0.44186 0.863636
22 E4P 0.435897 0.756098
23 9C2 0.434783 0.833333
24 KD0 0.434783 0.829268
25 F6R 0.431818 0.767442
26 TG6 0.431818 0.767442
27 LX1 0.425 0.72093
28 A5P 0.425 0.704545
29 LXP 0.425 0.704545
30 DX5 0.425 0.704545
31 CAP 0.416667 0.772727
32 52L 0.416667 0.791667
33 S6P 0.414634 0.72093
34 DG2 0.414634 0.756098
35 P6T 0.413043 0.785714
36 2FP 0.413043 0.785714
37 PAN 0.413043 0.8125
38 P6F 0.413043 0.785714
39 I22 0.413043 0.767442
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
APoc FAQ
Feedback