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...
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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
Ligand no: 1; Ligand: AEP; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 AEP 1 1
2 2D8 0.594595 0.842105
3 LY0 0.594595 0.842105
4 P8D 0.488372 0.815789
5 PHY 0.413043 0.681818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LFW; Ligand: AEP; Similar sites found: 20
This union binding pocket(no: 1) in the query (biounit: 1lfw.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PBB PBD 0.002094 0.44466 1.21581
2 4J7Q B7N 0.03769 0.40213 2.1021
3 2PYW ADP 0.009567 0.41463 2.14286
4 4FAI PBD 0.005965 0.40124 2.72727
5 1ZK4 NAP 0.03008 0.40924 2.78884
6 4KQW NAP 0.03654 0.40283 2.85714
7 3PB9 1BN 0.0008479 0.45125 3.0303
8 3SI2 PBD 0.000543 0.46309 3.36391
9 2GDZ NAD 0.02545 0.40651 3.37079
10 2VL1 GLY GLY 0.000000553 0.59974 3.82979
11 4F9U PBD 0.0008049 0.44572 4.16667
12 2RHW C0E 0.02986 0.40177 4.24028
13 4DYO SD4 0.00002615 0.51118 4.89362
14 4PXE GLV 0.0000007288 0.53186 5.34884
15 3FED BIX 0.001919 0.44438 5.53191
16 4PXD 1AL 0.0000006488 0.61372 5.56901
17 1Y0Y L2O VAL VAL ASP 0.000007423 0.55064 8.2153
18 1TF9 PHI 0.000478 0.45339 9.15493
19 2ZOF BES 0.00000006466 0.55224 10.6383
20 1Q7L GLY 0.0000005197 0.47237 17.1717
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