Receptor
PDB id Resolution Class Description Source Keywords
3HII 2.15 Å EC: 1.4.3.22 CRYSTAL STRUCTURE OF HUMAN DIAMINE OXIDASE IN COMPLEX WITH T INHIBITOR PENTAMIDINE HOMO SAPIENS OXIDOREDUCTASE COPPER AMINE OXIDASE TOPAQUINONE TPQ DIAMOXIDASE DAO HUMAN PENTAMIDINE GLYCOPROTEIN HEPARIN-BINMETAL-BINDING SECRETED
Ref.: STRUCTURE AND INHIBITION OF HUMAN DIAMINE OXIDASE BIOCHEMISTRY V. 48 9810 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:802;
A:803;
B:802;
B:803;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CU A:801;
B:801;
Part of Protein;
Part of Protein;
none;
none;
submit data
63.546 Cu [Cu+2...
GOL A:804;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NAG NAG F:1;
H:1;
G:1;
D:1;
E:1;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA C:1;
Part of Protein;
none;
submit data
570.545 n/a O=C(N...
PNT A:901;
B:901;
Valid;
Valid;
none;
none;
Ki = 290 nM
340.419 C19 H24 N4 O2 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3HIG 2.09 Å EC: 1.4.3.22 CRYSTAL STRUCTURE OF HUMAN DIAMINE OXIDASE IN COMPLEX WITH T INHIBITOR BERENIL HOMO SAPIENS OXIDOREDUCTASE COPPER AMINE OXIDASE TOPAQUINONE TPQ DIAMOXIDASE DAO HUMAN BERENIL DIMINAZENE GLYCOPROTEIN HEPBINDING METAL-BINDING SECRETED
Ref.: STRUCTURE AND INHIBITION OF HUMAN DIAMINE OXIDASE BIOCHEMISTRY V. 48 9810 2009
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HIG Ki = 13 nM BRN C14 H15 N7 c1cc(ccc1C....
2 3HII Ki = 290 nM PNT C19 H24 N4 O2 c1cc(ccc1C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3HIG Ki = 13 nM BRN C14 H15 N7 c1cc(ccc1C....
2 3HII Ki = 290 nM PNT C19 H24 N4 O2 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2PNC Ki = 466 uM CLU C9 H9 Cl2 N3 c1cc(c(c(c....
2 3HIG Ki = 13 nM BRN C14 H15 N7 c1cc(ccc1C....
3 3HII Ki = 290 nM PNT C19 H24 N4 O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PNT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PNT 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: PNT; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3HIG; Ligand: BRN; 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: 3hig.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3HIG; Ligand: BRN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3hig.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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