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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
Ligand no: 1; Ligand: TYR GLY GLY PHE LEU; Similar ligands found: 84
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 0.530864 0.673469
7 PHE LEU ARG GLY ARG ALA TYR VAL LEU 0.52381 0.827586
8 PHE ARG TYR LEU GLY 0.518182 0.842105
9 GLY GLY LYS LYS LYS TYR GLN LEU 0.513761 0.903846
10 LEU LEU TYR GLY PHE VAL ASN TYR VAL 0.512821 0.923077
11 SER LYS TYR GLY LEU GLN ASP 0.511111 0.918367
12 PHE LEU ALA TYR LYS 0.509259 0.921569
13 PHE LEU SER TYR LYS 0.509259 0.854545
14 LEU LEU TYR GLY PHE VAL ASN TYR ILE 0.508333 0.90566
15 ARG GLY TYR LEU TYR GLN GLY LEU 0.504274 0.842105
16 TYR GLN PHE 0.5 0.8
17 LEU ASP GLU GLU THR GLY GLU PHE LEU 0.491379 0.781818
18 GLY GLY LYS LYS ARG TYR LYS LEU 0.491228 0.810345
19 GLY GLY LYS LYS LYS TYR ARG LEU 0.491228 0.810345
20 GLY GLY ARG LYS LYS TYR LYS LEU 0.491228 0.810345
21 GLY ASN TYR SER PHE TYR ALA LEU 0.486486 0.854545
22 THR PRO ASP TYR PHE LEU 0.485981 0.875
23 ARG GLY TYR VAL TYR GLN GLY LEU 0.483607 0.842105
24 TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 0.480315 0.8
25 SER ILE ILE GLY PHE GLU LYS LEU 0.479339 0.767857
26 GLU ASN LEU TYR PHE GLN 0.473214 0.814815
27 ASP ASN ARG LEU GLY LEU VAL TYR GLN PHE 0.46789 0.88
28 PHE TYR ARG ALA LEU MET 0.463415 0.754098
29 SER ASP TYR GLN ARG LEU 0.460177 0.775862
30 GLY ILE LEU GLY LEU VAL PHE THR LEU 0.457627 0.811321
31 LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE 0.455882 0.813559
32 PHE GLN TRP MET GLY TYR GLU LEU TRP 0.453901 0.774194
33 TYR GLN SER LYS LEU 0.453704 0.836364
34 TYR LEU PHE VAL GLN ARG ASP SER LYS GLU 0.450549 0.795918
35 THR LEU MET THR GLY GLN LEU GLY LEU PHE 0.448598 0.82
36 TYR GLN GLU SER THR ASP PHE THR PHE LEU 0.447619 0.754717
37 PHE ALA PRO GLY ASN TYR PRO ALA LEU 0.445255 0.731343
38 ARG TYR GLY PHE VAL ALA ASN PHE 0.44186 0.783333
39 SER GLN TYR TYR TYR ASN SER LEU 0.441441 0.821429
40 PHE ALA PRO GLY PHE PHE PRO TYR LEU 0.440298 0.75
41 ASP ASP ASP MET GLY PHE GLY LEU PHE ASP 0.439252 0.86
42 ASP ASP MET GLY PHE GLY LEU PHE ASP 0.439252 0.86
43 THR ASN GLU PHE TYR PHE 0.438095 0.754717
44 ARG THR PHE SER PRO THR TYR GLY LEU 0.43662 0.680556
45 LEU PHE GLY TYR PRO VAL TYR VAL 0.435115 0.803279
46 ASP ALA ASP GLU TYR LEU 0.432432 0.807692
47 PHE LEU THR GLY ILE GLY ILE ILE THR VAL 0.431034 0.777778
48 TYR VAL ASP GLY ALA 0.428571 0.882353
49 SER VAL TYR ASP PHE PHE VAL TRP LEU 0.427481 0.766667
50 TYR LEU GLY ALA ASN GLY 0.427273 0.849057
51 TYR ASP GLN ILE LEU 0.427273 0.807692
52 LEU LEU PHE GLY PHE PRO VAL TYR VAL 0.426471 0.803279
53 LEU LEU PHE GLY TYR PRO VAL TYR VAL 0.426471 0.803279
54 GLY ILE TRP GLY PHE VAL PHE THR LEU 0.425373 0.779661
55 SER SER VAL VAL GLY VAL TRP TYR LEU 0.424242 0.783333
56 THR GLU ASN LEU TYR PHE GLN SER GLY THR 0.424242 0.842105
57 GLY ALA GLU VAL PHE TYR VAL ASP GLY ALA 0.422764 0.903846
58 TYR MET PHE PRO ASN ALA PRO TYR LEU 0.421429 0.676056
59 ARG GLN ALA ASN PHE LEU GLY LYS 0.421053 0.773585
60 ALA LEU ASP LEU PHE 0.421053 0.72
61 PHE GLU ALA ILE PRO ALA GLU TYR LEU 0.42029 0.774194
62 ASP ASP LEU TYR GLY 0.419048 0.901961
63 SER LEU ARG PHE LEU TYR GLU GLY 0.417323 0.786885
64 PHE GLU ALA ASN GLY ASN LEU ILE 0.416 0.763636
65 LEU LEU PHE GLY LYS PRO VAL TYR VAL 0.414286 0.777778
66 LEU ALA ILE TYR SER 0.412844 0.826923
67 MET ASN TYR ASP ILE 0.412371 0.784314
68 ILE LEU GLY LYS PHE LEU HIS ARG LEU 0.411765 0.676923
69 ACE ILE TYR GLU SER LEU 0.410714 0.781818
70 SER ARG ILE ARG ILE ARG GLY TYR VAL ARG 0.409449 0.71875
71 TYR PRO PHE PHE NH2 0.409091 0.688525
72 GLU THR PHE TYR VAL ASP GLY 0.408333 0.87037
73 LYS TYR LYS 0.408163 0.788462
74 ARG PHE MET ASP TYR TRP GLU GLY LEU 0.407895 0.705882
75 GLU GLU TYR LEU GLN ALA PHE THR TYR 0.407692 0.814815
76 GLY ALA GLU THR PHE TYR VAL ASP GLY ALA 0.40625 0.854545
77 SER SER VAL ILE GLY VAL TRP TYR LEU 0.405797 0.770492
78 TYR LEU GLY GLY PRO ASP PHE PRO THR ILE 0.402685 0.731343
79 TI2 0.402062 0.705882
80 ASP PHE GLU ASP TYR GLU PHE ASP 0.401786 0.745455
81 GLY ALA ASP ILE PHE TYR LEU ASP GLY ALA 0.401639 0.901961
82 LEU TYR LEU VAL CYS GLY GLU ARG VAL 0.40146 0.779661
83 GLY ILE LEU GLY PHE VAL PHE THR LEU 0.4 0.830189
84 ASP ASN ARG LEU GLY LEU VAL TYR TRP PHE 0.4 0.763636
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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