Receptor
PDB id Resolution Class Description Source Keywords
1LFW 1.8 Å EC: 3.4.13.3 CRYSTAL STRUCTURE OF PEPV LACTOBACILLUS DELBRUECKII HYDROLASE DIPEPTIDASE
Ref.: CRYSTAL STRUCTURE OF THE DINUCLEAR ZINC AMINOPEPTID FROM LACTOBACILLUS DELBRUECKII UNRAVELS ITS PREFERE DIPEPTIDES STRUCTURE V. 10 1097 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AEP A:683;
 Valid;
 none;
 submit data
239.163 C7 H14 N O6 P C[C@H...
ZN A:1001;
A:1002;
 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
1LFW 1.8 Å EC: 3.4.13.3 CRYSTAL STRUCTURE OF PEPV LACTOBACILLUS DELBRUECKII HYDROLASE DIPEPTIDASE
Ref.: CRYSTAL STRUCTURE OF THE DINUCLEAR ZINC AMINOPEPTID FROM LACTOBACILLUS DELBRUECKII UNRAVELS ITS PREFERE DIPEPTIDES STRUCTURE V. 10 1097 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LFW - AEP C7 H14 N O6 P C[C@H](C[P....
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 1LFW - AEP C7 H14 N O6 P C[C@H](C[P....
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 1LFW - AEP C7 H14 N O6 P C[C@H](C[P....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AEP; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 AEP 1 1
2 LY0 0.594595 0.842105
3 2D8 0.594595 0.842105
4 P8D 0.488372 0.815789
5 PHY 0.413043 0.681818
Similar Ligands (3D)
Ligand no: 1; Ligand: AEP; Similar ligands found: 6
No: Ligand Similarity coefficient
1 DI9 0.8839
2 HRG 0.8693
3 HSA 0.8635
4 PA5 0.8612
5 ASP SER 0.8581
6 PRO LEU 0.8556
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LFW; Ligand: AEP; 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: 1lfw.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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