Receptor
PDB id Resolution Class Description Source Keywords
3PUR 2.1 Å EC: 1.14.11.27 CEKDM7A FROM C.ELEGANS, COMPLEX WITH D-2-HG CAENORHABDITIS ELEGANS DEMETHYLASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: ONCOMETABOLITE 2-HYDROXYGLUTARATE IS A COMPETITIVE OF ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASES CANCER CELL V. 19 17 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2HG A:1000;
C:1000;
Valid;
Valid;
none;
none;
Ki = 10.87 mM
148.114 C5 H8 O5 C(CC(...
FE2 A:1;
C:1;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+2...
ZN A:2;
A:3;
C:2;
C:3;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3PUR 2.1 Å EC: 1.14.11.27 CEKDM7A FROM C.ELEGANS, COMPLEX WITH D-2-HG CAENORHABDITIS ELEGANS DEMETHYLASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.: ONCOMETABOLITE 2-HYDROXYGLUTARATE IS A COMPETITIVE OF ALPHA-KETOGLUTARATE-DEPENDENT DIOXYGENASES CANCER CELL V. 19 17 2011
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3PUQ - AKG C5 H6 O5 C(CC(=O)O)....
2 3PUR Ki = 10.87 mM 2HG C5 H8 O5 C(CC(=O)O)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3PUQ - AKG C5 H6 O5 C(CC(=O)O)....
2 3PUR Ki = 10.87 mM 2HG C5 H8 O5 C(CC(=O)O)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3PUQ - AKG C5 H6 O5 C(CC(=O)O)....
2 3PUR Ki = 10.87 mM 2HG C5 H8 O5 C(CC(=O)O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2HG; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 S2G 1 1
2 2HG 1 1
3 DMR 0.461538 0.809524
4 LMR 0.461538 0.809524
5 MLT 0.461538 0.809524
6 2RH 0.444444 0.652174
7 DGY 0.44 0.666667
8 9ON 0.433333 0.727273
9 DGL 0.433333 0.653846
10 GLU 0.433333 0.653846
11 GGL 0.433333 0.653846
12 HOC 0.411765 0.62963
13 HCT 0.40625 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3PUR; Ligand: 2HG; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3pur.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 3KV5 OGA 47.9508
2 3KV4 OGA 48.3221
Pocket No.: 2; Query (leader) PDB : 3PUR; Ligand: 2HG; 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: 3pur.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback