Receptor
PDB id Resolution Class Description Source Keywords
4NPL 1.65 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF ZEBRAFISH ALKBH5 IN COMPLEX WITH ALPHA- KETOGLUTARATE DANIO RERIO OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE RNA DEMETHYLASE ALKBH5 FRO ZEBRAFISH. FEBS LETT. V. 588 892 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG B:301;
A:301;
Valid;
Valid;
none;
none;
submit data
146.098 C5 H6 O5 C(CC(...
MN B:300;
A:300;
Part of Protein;
Part of Protein;
none;
none;
submit data
54.938 Mn [Mn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NPL 1.65 Å EC: 1.14.11.- CRYSTAL STRUCTURE OF ZEBRAFISH ALKBH5 IN COMPLEX WITH ALPHA- KETOGLUTARATE DANIO RERIO OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE RNA DEMETHYLASE ALKBH5 FRO ZEBRAFISH. FEBS LETT. V. 588 892 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 4NPL - AKG C5 H6 O5 C(CC(=O)O)....
2 4NPM - SIN C4 H6 O4 C(CC(=O)O)....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 4O61 ic50 = 488 uM CIT C6 H8 O7 C(C(=O)O)C....
2 4OCT ic50 = 9 uM AKG C5 H6 O5 C(CC(=O)O)....
3 4NPL - AKG C5 H6 O5 C(CC(=O)O)....
4 4NPM - SIN C4 H6 O4 C(CC(=O)O)....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 4O61 ic50 = 488 uM CIT C6 H8 O7 C(C(=O)O)C....
2 4OCT ic50 = 9 uM AKG C5 H6 O5 C(CC(=O)O)....
3 4NPL - AKG C5 H6 O5 C(CC(=O)O)....
4 4NPM - SIN C4 H6 O4 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 : 4NPL; Ligand: AKG; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 4npl.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 5XEG AKG 2.5974
Pocket No.: 2; Query (leader) PDB : 4NPL; 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: 4npl.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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