Receptor
PDB id Resolution Class Description Source Keywords
3O07 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF YEAST PYRIDOXAL 5-PHOSPHATE SYNTHASE SN COMPLEXED WITH SUBSTRATE G3P SACCHAROMYCES CEREVISIAE (BETA/ALPHA)8-BARREL PYRIDOXAL 5-PHOSPHATE SYNTHASE PLP G3SNO1 BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC MECHANISM OF YEAST PYRIDOXAL 5-PHOSPHATE SYNTHASE SNZ1 BIOCHEM.J. V. 432 445 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1GP A:1;
B:1;
C:1;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
172.074 C3 H9 O6 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3O07 1.8 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF YEAST PYRIDOXAL 5-PHOSPHATE SYNTHASE SN COMPLEXED WITH SUBSTRATE G3P SACCHAROMYCES CEREVISIAE (BETA/ALPHA)8-BARREL PYRIDOXAL 5-PHOSPHATE SYNTHASE PLP G3SNO1 BIOSYNTHETIC PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC MECHANISM OF YEAST PYRIDOXAL 5-PHOSPHATE SYNTHASE SNZ1 BIOCHEM.J. V. 432 445 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 3O05 - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 3O07 - 1GP C3 H9 O6 P C([C@@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 3O05 - PLP C8 H10 N O6 P Cc1c(c(c(c....
2 3O07 - 1GP C3 H9 O6 P C([C@@H](C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5LNW - HG3 C3 H9 O7 P C([C@H](C(....
2 3O05 - PLP C8 H10 N O6 P Cc1c(c(c(c....
3 3O07 - 1GP C3 H9 O6 P C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 1GP; Similar ligands found: 25
No: Ligand ECFP6 Tc MDL keys Tc
1 1GP 1 1
2 G3P 1 1
3 GP9 0.551724 0.90625
4 GPE 0.514286 0.731707
5 M2P 0.5 0.882353
6 LX1 0.484848 0.828571
7 A5P 0.484848 0.911765
8 DX5 0.484848 0.911765
9 LXP 0.484848 0.911765
10 HG3 0.482759 0.90625
11 S6P 0.470588 0.939394
12 DXP 0.457143 0.828571
13 G3H 0.4375 0.848485
14 3PG 0.4375 0.852941
15 D5X 0.432432 0.805556
16 CH5 0.425 0.6
17 EFS 0.423077 0.69697
18 M6R 0.421053 0.756098
19 AGP 0.421053 0.756098
20 GSE 0.414634 0.714286
21 E4P 0.411765 0.878788
22 R5P 0.405405 0.828571
23 DG6 0.405405 0.885714
24 TX4 0.405405 0.630435
25 R52 0.405405 0.828571
Similar Binding Sites (Proteins are less than 50% similar to leader)
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