Receptor
PDB id Resolution Class Description Source Keywords
2IBN 1.5 Å EC: 1.13.99.1 CRYSTAL STRUCTURE OF HUMAN MYO-INOSITOL OXYGENASE (MIOX) HOMO SAPIENS REDUCTASE INOSITOL DIIRON STRUCTURAL GENOMICS STRUCTURALCONSORTIUM SGC OXIDOREDUCTASE
Ref.: STRUCTURAL AND BIOPHYSICAL CHARACTERIZATION OF HUMA MYO-INOSITOL OXYGENASE J.BIOL.CHEM. V. 283 15209 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CYS A:708;
B:707;
Invalid;
Invalid;
none;
none;
submit data
121.158 C3 H7 N O2 S C([C@...
FE A:703;
A:704;
B:705;
B:706;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
I1N A:710;
B:709;
Valid;
Valid;
none;
none;
submit data
178.14 C6 H10 O6 C1([C...
SO4 A:701;
B:702;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IBN 1.5 Å EC: 1.13.99.1 CRYSTAL STRUCTURE OF HUMAN MYO-INOSITOL OXYGENASE (MIOX) HOMO SAPIENS REDUCTASE INOSITOL DIIRON STRUCTURAL GENOMICS STRUCTURALCONSORTIUM SGC OXIDOREDUCTASE
Ref.: STRUCTURAL AND BIOPHYSICAL CHARACTERIZATION OF HUMA MYO-INOSITOL OXYGENASE J.BIOL.CHEM. V. 283 15209 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2IBN - I1N C6 H10 O6 C1([C@@H](....
70% 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 2HUO - INS C6 H12 O6 C1(C(C(C(C....
2 3BXD Ki = 62 uM INS C6 H12 O6 C1(C(C(C(C....
3 2IBN - I1N C6 H10 O6 C1([C@@H](....
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 2HUO - INS C6 H12 O6 C1(C(C(C(C....
2 3BXD Ki = 62 uM INS C6 H12 O6 C1(C(C(C(C....
3 2IBN - I1N C6 H10 O6 C1([C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: I1N; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 I1N 1 1
2 ISE 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IBN; Ligand: I1N; 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: 2ibn.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2IBN; Ligand: I1N; 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: 2ibn.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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