Receptor
PDB id Resolution Class Description Source Keywords
4UZI 2.1 Å EC: 1.11.1.19 CRYSTAL STRUCTURE OF AAUDYP COMPLEXED WITH IMIDAZOLE AURICULARIA AURICULA-JUDAE OXIDOREDUCTASE PEROXIDASE DYP-TYPE PEROXIDASE HEME GLYCO
Ref.: THE TOOLBOX OF AURICULARIA AURICULA-JUDAE DYE-DECOL PEROXIDASE - IDENTIFICATION OF THREE NEW POTENTIAL SUBSTRATE-INTERACTION SITES. ARCH.BIOCHEM.BIOPHYS. V. 574 75 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:1467;
B:1464;
B:1463;
A:1461;
A:1463;
A:1462;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
GOA B:1466;
Invalid;
none;
submit data
76.051 C2 H4 O3 C(C(=...
HEM A:1449;
B:1449;
Part of Protein;
Part of Protein;
none;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
OXD A:1464;
Invalid;
none;
submit data
90.035 C2 H2 O4 C(=O)...
MPD B:1459;
B:1458;
B:1457;
B:1461;
A:1457;
B:1460;
A:1458;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C[C@@...
K A:1465;
B:1465;
Part of Protein;
Part of Protein;
none;
none;
submit data
39.098 K [K+]
NAG A:1452;
A:1453;
B:1454;
B:1453;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
IMD B:1455;
A:1454;
A:1455;
B:1456;
Valid;
Valid;
Invalid;
Valid;
none;
none;
none;
none;
Ki = 5.78 mM
69.085 C3 H5 N2 c1c[n...
FMT A:1459;
Invalid;
none;
submit data
46.025 C H2 O2 C(=O)...
EPE B:1462;
A:1460;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
NAG NAG BMA B:1450;
Invalid;
none;
submit data
570.545 n/a O=C(N...
NAG NAG A:1450;
Invalid;
none;
submit data
408.404 n/a O=C(N...
MRD A:1456;
Invalid;
none;
submit data
118.174 C6 H14 O2 C[C@H...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4UZI 2.1 Å EC: 1.11.1.19 CRYSTAL STRUCTURE OF AAUDYP COMPLEXED WITH IMIDAZOLE AURICULARIA AURICULA-JUDAE OXIDOREDUCTASE PEROXIDASE DYP-TYPE PEROXIDASE HEME GLYCO
Ref.: THE TOOLBOX OF AURICULARIA AURICULA-JUDAE DYE-DECOL PEROXIDASE - IDENTIFICATION OF THREE NEW POTENTIAL SUBSTRATE-INTERACTION SITES. ARCH.BIOCHEM.BIOPHYS. V. 574 75 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UZI Ki = 5.78 mM IMD C3 H5 N2 c1c[nH+]c[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UZI Ki = 5.78 mM IMD C3 H5 N2 c1c[nH+]c[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4UZI Ki = 5.78 mM IMD C3 H5 N2 c1c[nH+]c[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IMD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 IMD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4UZI; Ligand: IMD; 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: 4uzi.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4UZI; Ligand: IMD; 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: 4uzi.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4UZI; Ligand: IMD; 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: 4uzi.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4UZI; Ligand: IMD; 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: 4uzi.bio1) has 5 residues
No: Leader PDB Ligand Sequence Similarity
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