Receptor
PDB id Resolution Class Description Source Keywords
2IUW 1.5 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF HUMAN ABH3 IN COMPLEX WITH IRON ION AND 2-OXOGLUTARATE HOMO SAPIENS OXIDOREDUCTASE DNA/RNA REPAIR DEMETHYLASE BETA JELLYROLL
Ref.: HUMAN ABH3 STRUCTURE AND KEY RESIDUES FOR OXIDATIVE DEMETHYLATION TO REVERSE DNA/RNA DAMAGE. EMBO J. V. 25 3389 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:700;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
BME A:800;
A:801;
A:802;
A:901;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
FE A:500;
A:501;
A:502;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2IUW 1.5 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF HUMAN ABH3 IN COMPLEX WITH IRON ION AND 2-OXOGLUTARATE HOMO SAPIENS OXIDOREDUCTASE DNA/RNA REPAIR DEMETHYLASE BETA JELLYROLL
Ref.: HUMAN ABH3 STRUCTURE AND KEY RESIDUES FOR OXIDATIVE DEMETHYLATION TO REVERSE DNA/RNA DAMAGE. EMBO J. V. 25 3389 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 2IUW - AKG C5 H6 O5 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 2IUW - AKG C5 H6 O5 C(CC(=O)O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2IUW - AKG C5 H6 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AKG; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 AKG 1 1
2 SIN 0.526316 0.833333
3 OOG 0.5 0.947368
4 69O 0.458333 0.714286
5 2IT 0.423077 0.615385
6 SHF 0.416667 0.666667
7 3PY 0.409091 0.652174
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2IUW; Ligand: AKG; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 2iuw.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 5XEG AKG 26.8398
Pocket No.: 2; Query (leader) PDB : 2IUW; Ligand: AKG; 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: 2iuw.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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