Receptor
PDB id Resolution Class Description Source Keywords
1D6Z 2.1 Å EC: 1.4.3.6 CRYSTAL STRUCTURE OF THE AEROBICALLY FREEZE TRAPPED RATE-DET CATALYTIC INTERMEDIATE OF E. COLI COPPER-CONTAINING AMINE O ESCHERICHIA COLI REACTION INTERMEDIATE OXIDOREDUCTASE
Ref.: VISUALIZATION OF DIOXYGEN BOUND TO COPPER DURING EN CATALYSIS. SCIENCE V. 286 1724 1999
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:2004;
B:3003;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
HY1 A:2001;
B:3001;
Valid;
Valid;
none;
none;
submit data
120.149 C8 H8 O c1ccc...
PEA A:2003;
Valid;
none;
submit data
122.188 C8 H12 N c1ccc...
PEO A:2002;
B:3002;
Invalid;
Invalid;
none;
none;
submit data
34.015 H2 O2 OO
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1D6Z 2.1 Å EC: 1.4.3.6 CRYSTAL STRUCTURE OF THE AEROBICALLY FREEZE TRAPPED RATE-DET CATALYTIC INTERMEDIATE OF E. COLI COPPER-CONTAINING AMINE O ESCHERICHIA COLI REACTION INTERMEDIATE OXIDOREDUCTASE
Ref.: VISUALIZATION OF DIOXYGEN BOUND TO COPPER DURING EN CATALYSIS. SCIENCE V. 286 1724 1999
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1D6Y - HY1 C8 H8 O c1ccc(cc1)....
2 1D6U - HY1 C8 H8 O c1ccc(cc1)....
3 1D6Z - HY1 C8 H8 O c1ccc(cc1)....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1D6Y - HY1 C8 H8 O c1ccc(cc1)....
2 1D6U - HY1 C8 H8 O c1ccc(cc1)....
3 1D6Z - HY1 C8 H8 O c1ccc(cc1)....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1D6Y - HY1 C8 H8 O c1ccc(cc1)....
2 1D6U - HY1 C8 H8 O c1ccc(cc1)....
3 1D6Z - HY1 C8 H8 O c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HY1; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HY1 1 1
2 3PL 0.46875 0.777778
Ligand no: 2; Ligand: PEA; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 PEA 1 1
2 PRA 0.62963 0.882353
3 ABN 0.461538 0.733333
4 PBN 0.4375 0.736842
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1D6Z; Ligand: HY1; 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: 1d6z.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1D6Z; Ligand: HY1; 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: 1d6z.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1D6Z; Ligand: PEA; 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: 1d6z.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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