Receptor
PDB id Resolution Class Description Source Keywords
4PXE 1.45 Å EC: 3.5.3.19 THE CRYSTAL STRUCTURE OF ATUAH IN COMPLEX WITH GLYOXYLATE ARABIDOPSIS THALIANA AMIDASE HYDANTOINASE CARBARMOYLASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY (S)-UREIDOGLYCOLATE AMIDOHYDROLASE AND ITS COMPARIS ALLANTOATE AMIDOHYDROLASE J.MOL.BIOL. 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MN A:501;
B:502;
A:502;
B:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
GLV A:503;
B:503;
Valid;
Valid;
none;
none;
submit data
74.035 C2 H2 O3 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PXE 1.45 Å EC: 3.5.3.19 THE CRYSTAL STRUCTURE OF ATUAH IN COMPLEX WITH GLYOXYLATE ARABIDOPSIS THALIANA AMIDASE HYDANTOINASE CARBARMOYLASE HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE SUBSTRATE SPECIFICITY (S)-UREIDOGLYCOLATE AMIDOHYDROLASE AND ITS COMPARIS ALLANTOATE AMIDOHYDROLASE J.MOL.BIOL. 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4PXE - GLV C2 H2 O3 C(=O)C(=O)....
2 4PXC - HGY C2 H5 N O3 [C@H](C(=O....
3 4PXB - UGC C3 H6 N2 O4 [C@H](C(=O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLV; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GLV 1 1
2 MAE 0.5 0.666667
3 FUM 0.5 0.666667
4 OXD 0.416667 0.75
5 CCU 0.411765 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PXE; Ligand: GLV; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2VL1 GLY GLY 45.3488
2 4PXD 1AL 48.6683
Pocket No.: 2; Query (leader) PDB : 4PXE; Ligand: GLV; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4pxe.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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