Receptor
PDB id Resolution Class Description Source Keywords
2HUO 2 Å EC: 1.13.99.1 CRYSTAL STRUCTURE OF MOUSE MYO-INOSITOL OXYGENASE IN COMPLEX SUBSTRATE MUS MUSCULUS PROTEIN-SUBSTRATE COMPLEX HD DOMAIN FOLD OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF A SUBSTRATE COMPLEX OF MYO-INO OXYGENASE, A DI-IRON OXYGENASE WITH A KEY ROLE IN I METABOLISM. PROC.NATL.ACAD.SCI.USA V. 103 15032 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:301;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
FMT A:305;
Invalid;
none;
submit data
46.025 C H2 O2 C(=O)...
INS A:303;
Valid;
none;
submit data
180.156 C6 H12 O6 C1(C(...
OH A:304;
Invalid;
none;
submit data
17.007 H O [OH-]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3BXD 2 Å EC: 1.13.99.1 CRYSTAL STRUCTURE OF MOUSE MYO-INOSITOL OXYGENASE (RE-REFINE MUS MUSCULUS PROTEIN-SUBSTRATE COMPLEX HD DOMAIN FOLD DIIRON OXIDOREDU
Ref.: STRUCTURAL AND BIOPHYSICAL CHARACTERIZATION OF HUMA MYO-INOSITOL OXYGENASE. J.BIOL.CHEM. V. 283 15209 2008
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 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....
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: INS; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 INS 1 1
2 YTB 0.416667 0.615385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3BXD; Ligand: INS; Similar sites found: 7
This union binding pocket(no: 1) in the query (biounit: 3bxd.bio1) has 19 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4OUJ LBT 0.01527 0.40695 1.38408
2 4LO2 GAL BGC 0.01279 0.41812 4.49827
3 4RM0 FUC NDG GAL 0.01295 0.40945 4.84429
4 4ZGR NGA GAL 0.002534 0.45101 6.47773
5 4MLN ODV 0.001798 0.40323 14.2857
6 4N6W FLC 0.005732 0.41511 14.9123
7 2ZQO NGA 0.008026 0.42311 22.3077
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