Receptor
PDB id Resolution Class Description Source Keywords
1GQG 1.7 Å EC: 1.13.11.24 QUERCETIN 2,3-DIOXYGENASE IN COMPLEX WITH THE INHIBITOR DIETHYLDITHIOCARBAMATE ASPERGILLUS JAPONICUS OXIDOREDUCTASE DIOXYGENASE
Ref.: FUNCTIONAL ANALYSIS OF THE COPPER-DEPENDENT QUERCET 2,3-DIOXYGENASE.1.LIGAND-INDUCED COORDINATION CHANG BY X-RAY CRYSTALLOGRAPHY: INHIBITION, ORDERING EFFE MECHANISTIC INSIGHTS BIOCHEMISTRY V. 41 7955 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CU A:1352;
B:1352;
C:1352;
D:1352;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
63.546 Cu [Cu+2...
DCD A:1351;
B:1351;
C:1351;
D:1351;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
149.278 C5 H11 N S2 CCN(C...
NAG A:1353;
A:1356;
A:1357;
B:1353;
B:1354;
B:1355;
B:1356;
C:1353;
C:1356;
C:1357;
D:1353;
D:1356;
D:1357;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG D:1354;
Part of Protein;
none;
submit data
408.404 n/a O=C(N...
NAG NAG BMA A:1354;
C:1354;
Part of Protein;
Part of Protein;
none;
none;
submit data
570.545 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1GQG 1.7 Å EC: 1.13.11.24 QUERCETIN 2,3-DIOXYGENASE IN COMPLEX WITH THE INHIBITOR DIETHYLDITHIOCARBAMATE ASPERGILLUS JAPONICUS OXIDOREDUCTASE DIOXYGENASE
Ref.: FUNCTIONAL ANALYSIS OF THE COPPER-DEPENDENT QUERCET 2,3-DIOXYGENASE.1.LIGAND-INDUCED COORDINATION CHANG BY X-RAY CRYSTALLOGRAPHY: INHIBITION, ORDERING EFFE MECHANISTIC INSIGHTS BIOCHEMISTRY V. 41 7955 2002
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1GQH - KOJ C6 H6 O4 C1=C(OC=C(....
2 1H1M - KMP C15 H10 O6 c1cc(ccc1C....
3 1H1I - QUE C15 H10 O7 c1cc(c(cc1....
4 1GQG - DCD C5 H11 N S2 CCN(CC)C(=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1GQH - KOJ C6 H6 O4 C1=C(OC=C(....
2 1H1M - KMP C15 H10 O6 c1cc(ccc1C....
3 1H1I - QUE C15 H10 O7 c1cc(c(cc1....
4 1GQG - DCD C5 H11 N S2 CCN(CC)C(=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1GQH - KOJ C6 H6 O4 C1=C(OC=C(....
2 1H1M - KMP C15 H10 O6 c1cc(ccc1C....
3 1H1I - QUE C15 H10 O7 c1cc(c(cc1....
4 1GQG - DCD C5 H11 N S2 CCN(CC)C(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: DCD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 DCD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1GQG; Ligand: DCD; 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: 1gqg.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1GQG; Ligand: DCD; 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: 1gqg.bio2) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1GQG; Ligand: DCD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1gqg.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1GQG; Ligand: DCD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1gqg.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
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