Receptor
PDB id Resolution Class Description Source Keywords
5E3A 2.05 Å EC: 3.4.14.4 STRUCTURE OF HUMAN DPP3 IN COMPLEX WITH OPIOID PEPTIDE LEU-E HOMO SAPIENS PEPTIDE-COMPLEX ZINC-HYDROLASE OPIOID-PEPTIDE PEPTIDASE
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
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...
TYR GLY GLY PHE LEU B:1;
Valid;
none;
Kd = 3.6 uM
555.632 n/a O=C([...
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 LEU; Similar ligands found: 82
No: Ligand ECFP6 Tc MDL keys Tc
1 TYR GLY GLY PHE LEU 1 1
2 TYR GLY GLY PHE MET 0.777778 0.87037
3 PHE LEU ARG GLY ARG ALA TYR GLY LEU 0.555556 0.827586
4 GLY GLY LYS LYS LYS TYR LYS LEU 0.539216 0.903846
5 LEU GLY TYR GLY PHE VAL ASN TYR ILE 0.534483 0.90566
6 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.52381 0.827586
7 PHE ARG TYR LEU GLY 0.518182 0.842105
8 GLY GLY LYS LYS LYS TYR GLN LEU 0.513761 0.903846
9 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.512821 0.923077
10 PHE LEU ALA TYR LYS 0.509259 0.921569
11 PHE LEU SER TYR LYS 0.509259 0.854545
12 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.508333 0.90566
13 ARG GLY TYR LEU TYR GLN GLY LEU 0.504274 0.842105
14 TYR GLN PHE 0.5 0.8
15 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.491379 0.781818
16 GLY GLY LYS LYS LYS TYR ARG LEU 0.491228 0.810345
17 GLY GLY LYS LYS ARG TYR LYS LEU 0.491228 0.810345
18 GLY GLY ARG LYS LYS TYR LYS LEU 0.491228 0.810345
19 GLY ASN TYR SER PHE TYR ALA LEU 0.486486 0.854545
20 THR PRO ASP TYR PHE LEU 0.485981 0.875
21 ARG GLY TYR VAL TYR GLN GLY LEU 0.483607 0.842105
22 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.480315 0.8
23 SER ILE ILE GLY PHE GLU LYS LEU 0.479339 0.767857
24 GLU ASN LEU TYR PHE GLN 0.473214 0.814815
25 PHE TYR ARG ALA LEU MET 0.463415 0.754098
26 GLY ILE LEU GLY LEU VAL PHE THR LEU 0.457627 0.811321
27 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.455882 0.813559
28 TYR LEU VAL VAL VAL GLY ALA VAL GLY VAL 0.454545 0.9
29 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.453901 0.774194
30 ASP PHE GLU LYS GLU GLY TYR SER LEU 0.453846 0.859649
31 TYR GLN SER LYS LEU 0.453704 0.836364
32 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.450549 0.795918
33 TYR PHE SER SEP ASN 0.446429 0.650794
34 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.445255 0.731343
35 ARG TYR GLY PHE VAL ALA ASN PHE 0.44186 0.783333
36 SER GLN TYR TYR TYR ASN SER LEU 0.441441 0.821429
37 PHE TYR ARG TYR GLY PHE VAL ALA ASN PHE 0.440367 0.719298
38 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.440298 0.75
39 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.439252 0.82
40 ARG THR PHE SER PRO THR TYR GLY LEU 0.43662 0.680556
41 LEU PHE GLY TYR PRO VAL TYR VAL 0.435115 0.803279
42 ASP ALA ASP GLU TYR LEU 0.432432 0.807692
43 LYS LEU PHE SER PHE GLY GLY 0.431193 0.814815
44 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.431034 0.777778
45 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.429907 0.86
46 TYR VAL ASP GLY ALA 0.428571 0.882353
47 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.427481 0.766667
48 TYR LEU GLY ALA ASN GLY 0.427273 0.849057
49 TYR ASP GLN ILE LEU 0.427273 0.807692
50 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.426471 0.803279
51 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.426471 0.803279
52 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.425373 0.779661
53 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.424242 0.842105
54 SER SER VAL VAL GLY VAL TRP TYR LEU 0.424242 0.783333
55 TYR SER ALA 0.423913 0.735849
56 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.423423 0.88
57 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.421429 0.676056
58 SER ASP TYR GLN ARG LEU 0.421053 0.775862
59 ARG GLN ALA ASN PHE LEU GLY LYS 0.421053 0.773585
60 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.42029 0.774194
61 SER LEU ARG PHE LEU TYR GLU GLY 0.417323 0.786885
62 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.416667 0.754717
63 PHE GLU ALA ASN GLY ASN LEU ILE 0.416 0.763636
64 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.414286 0.777778
65 LEU ALA ILE TYR SER 0.412844 0.826923
66 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.411765 0.676923
67 ACE ILE TYR GLU SER LEU 0.410714 0.781818
68 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.409449 0.71875
69 TYR PRO PHE PHE NH2 0.409091 0.688525
70 GLU THR PHE TYR VAL ASP GLY 0.408333 0.87037
71 LYS TYR LYS 0.408163 0.788462
72 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.407895 0.705882
73 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.407692 0.814815
74 SER SER VAL ILE GLY VAL TRP TYR LEU 0.405797 0.770492
75 PHE LEU 0.404494 0.673469
76 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.402685 0.731343
77 TI2 0.402062 0.705882
78 ASP PHE GLU ASP TYR GLU PHE ASP 0.401786 0.745455
79 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.40146 0.779661
80 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.4 0.903846
81 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.4 0.830189
82 TYR LEU ASP SER GLY ILE HIS SER GLY ALA 0.4 0.826923
Similar Ligands (3D)
Ligand no: 1; Ligand: TYR GLY GLY PHE LEU; 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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