Receptor
PDB id Resolution Class Description Source Keywords
5E33 1.84 Å EC: 3.4.14.4 STRUCTURE OF HUMAN DPP3 IN COMPLEX WITH MET-ENKEPHALIN HOMO SAPIENS COMPLEX OPIOID-PEPTIDE ZINC-HYDROLASE PEPTIDASE HYDROLAS
Ref.: SUBSTRATE COMPLEXES OF HUMAN DIPEPTIDYL PEPTIDASE I THE MECHANISM OF ENZYME INHIBITION. SCI REP V. 6 23787 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TYR GLY GLY PHE MET B:1;
 Valid;
 none;
 submit data
573.671 n/a S(CCC...
MG A:803;
A:802;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
K A:804;
 Part of Protein;
 none;
 submit data
39.098 K [K+]
ZN A:801;
 Part of Protein;
 none;
 submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5E2Q 2.4 Å EC: 3.4.14.4 STRUCTURE OF HUMAN DPP3 IN COMPLEX WITH ANGIOTENSIN-II HOMO SAPIENS COMPLEX PEPTIDASE ZINC-HYDROLASE HYDROLASE
Ref.: SUBSTRATE COMPLEXES OF HUMAN DIPEPTIDYL PEPTIDASE I THE MECHANISM OF ENZYME INHIBITION. SCI REP V. 6 23787 2016
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5E33 - TYR GLY GLY PHE MET n/a n/a
2 5E2Q Kd = 1.64 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
3 5E3A Kd = 3.6 uM TYR GLY GLY PHE LEU n/a n/a
4 5EHH - TYR PRO PHE PHE NH2 n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5E33 - TYR GLY GLY PHE MET n/a n/a
2 5E2Q Kd = 1.64 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
3 5E3A Kd = 3.6 uM TYR GLY GLY PHE LEU n/a n/a
4 5EHH - TYR PRO PHE PHE NH2 n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5E33 - TYR GLY GLY PHE MET n/a n/a
2 5E2Q Kd = 1.64 uM ASP ARG VAL TYR ILE HIS PRO PHE n/a n/a
3 5E3A Kd = 3.6 uM TYR GLY GLY PHE LEU n/a n/a
4 5EHH - TYR PRO PHE PHE NH2 n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TYR GLY GLY PHE MET; Similar ligands found: 40
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR GLY GLY PHE MET 1 1
2 TYR GLY GLY PHE LEU 0.777778 0.87037
3 PHE TYR ARG ALA LEU MET 0.533333 0.803279
4 CYS VAL PHE MET 0.52 0.727273
5 TYR GLN PHE 0.494845 0.788462
6 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.482269 0.822581
7 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.467742 0.793103
8 ALA MET TYR LYS 0.466667 0.888889
9 PHE LEU SER TYR LYS 0.464912 0.779661
10 PHE LEU ALA TYR LYS 0.464912 0.836364
11 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.464567 0.758065
12 PHE ARG TYR LEU GLY 0.449153 0.770492
13 ALA VAL TYR ASN PHE ALA THR MET 0.448 0.79661
14 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.441176 0.758065
15 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.436508 0.807018
16 LYS TYR LYS 0.434343 0.777778
17 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.434109 0.793103
18 GLU ASN LEU TYR PHE GLN 0.432203 0.741379
19 TYR PHE SER SEP ASN 0.431034 0.621212
20 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.42963 0.786885
21 ALA THR ILE GLY THR ALA MET TYR LYS 0.42963 0.830508
22 ARG TYR GLY PHE VAL ALA ASN PHE 0.428571 0.71875
23 GLU LEU ARG ARG LYS MET MET TYR MET 0.426357 0.777778
24 THR LYS CYS VAL PHE MET 0.425 0.762712
25 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.424779 0.711864
26 GLY GLY LYS LYS LYS TYR LYS LEU 0.424779 0.821429
27 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.41958 0.71831
28 ARG GLY TYR LEU TYR GLN GLY LEU 0.417323 0.770492
29 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.415584 0.75
30 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.412587 0.774194
31 ASP PHE GLU ASP TYR GLU PHE ASP 0.412281 0.767857
32 GLN TYR PHE MET TPO GLU PTR VAL ALA 0.412162 0.772727
33 MET LEU TRP GLY TYR LEU GLN TYR VAL 0.408451 0.836066
34 GLY GLY LYS LYS LYS TYR GLN LEU 0.408333 0.821429
35 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.407692 0.661765
36 ARG GLY TYR VAL TYR GLN GLY LEU 0.401515 0.770492
37 FME TYR PHE ILE ASN ILE LEU THR LEU 0.4 0.8
38 GLU LEU LYS ARG LYS MET ILE TYR MET 0.4 0.777778
39 TYR VAL ASP GLY ALA 0.4 0.767857
40 TI2 0.4 0.698113
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR GLY GLY PHE MET; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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