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 CRYSTAL STRUCTURE PDXA; 4-HYDROXYTHREONINE-4-PHOSPHATE DEHYDROGENASE; PYRIDOXAL 5-prime -PHOSPHATE BIOSYNTHESIS; PLP OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI PDXA, AN ENZYME INVOLVED IN THE PYRIDOXAL PHOSPHATE BIOSYNTHESIS PATHWAY 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 CRYSTAL STRUCTURE PDXA; 4-HYDROXYTHREONINE-4-PHOSPHATE DEHYDROGENASE; PYRIDOXAL 5-prime -PHOSPHATE BIOSYNTHESIS; PLP OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF ESCHERICHIA COLI PDXA, AN ENZYME INVOLVED IN THE PYRIDOXAL PHOSPHATE BIOSYNTHESIS PATHWAY 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: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 4TP 1 1
2 DEZ 0.567568 0.829268
3 DER 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 3PG 0.5 0.780488
9 LG6 0.5 0.829268
10 HG3 0.5 0.731707
11 DXP 0.475 0.72093
12 M2P 0.472222 0.761905
13 5SP 0.452381 0.75
14 5RP 0.452381 0.75
15 HMS 0.452381 0.75
16 RES 0.44186 0.8125
17 AGP 0.44186 0.863636
18 XBP 0.44186 0.744186
19 M6R 0.44186 0.863636
20 RUB 0.44186 0.744186
21 E4P 0.435897 0.756098
22 KD0 0.434783 0.829268
23 F6R 0.431818 0.767442
24 TG6 0.431818 0.767442
25 DX5 0.425 0.704545
26 A5P 0.425 0.704545
27 LX1 0.425 0.72093
28 LXP 0.425 0.704545
29 CAP 0.416667 0.772727
30 52L 0.416667 0.791667
31 DG2 0.414634 0.756098
32 S6P 0.414634 0.72093
33 I22 0.413043 0.767442
34 P6F 0.413043 0.785714
35 P6T 0.413043 0.785714
36 2FP 0.413043 0.785714
37 PAN 0.413043 0.8125
38 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: 11
This union binding pocket(no: 1) in the query (biounit: 1ps6.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2O3Z AI7 0.01235 0.45287 1.84502
2 5IXG OTP 0.03262 0.4145 2.95858
3 1KSK URA 0.008759 0.4252 2.99145
4 3I7V ATP 0.009941 0.41853 4.47761
5 5O4J SAH 0.03106 0.4065 4.74453
6 5O4J 9KH 0.03106 0.4065 4.74453
7 1D8C GLV 0.01493 0.43175 5.4878
8 1P7T PYR 0.02202 0.41739 5.4878
9 2Z4T LBT 0.01072 0.41511 5.4878
10 5DEX 5E0 0.02222 0.40298 12.6712
11 2QLX RM4 0.009951 0.41253 17.5926
Feedback