Receptor
PDB id Resolution Class Description Source Keywords
5JWP 2.1 Å EC: 1.14.11.16 CRYSTAL STRUCTURE OF HUMAN FIH D201E VARIANT IN COMPLEX WITH ALPHA-KETOGLUTARATE, AND HIF1 ALPHA PEPTIDE. HOMO SAPIENS HYPOXIA SENSING FACTOR INHIBITING HIF ALPHA-KETOGLUTARATE OXYGENASE HYPOXIA INDUCIBLE FACTOR HYDROXYLASE OXIDOREDU
Ref.: THE FACIAL TRIAD IN THE ALPHA-KETOGLUTARATE DEPENDE OXYGENASE FIH: A ROLE FOR STERICS IN LINKING SUBSTR BINDING TO O2 ACTIVATION. J.INORG.BIOCHEM. V. 166 26 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:405;
A:404;
A:406;
A:407;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
AKG A:401;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
GOL A:402;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
ZN A:403;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JWP 2.1 Å EC: 1.14.11.16 CRYSTAL STRUCTURE OF HUMAN FIH D201E VARIANT IN COMPLEX WITH ALPHA-KETOGLUTARATE, AND HIF1 ALPHA PEPTIDE. HOMO SAPIENS HYPOXIA SENSING FACTOR INHIBITING HIF ALPHA-KETOGLUTARATE OXYGENASE HYPOXIA INDUCIBLE FACTOR HYDROXYLASE OXIDOREDU
Ref.: THE FACIAL TRIAD IN THE ALPHA-KETOGLUTARATE DEPENDE OXYGENASE FIH: A ROLE FOR STERICS IN LINKING SUBSTR BINDING TO O2 ACTIVATION. J.INORG.BIOCHEM. V. 166 26 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5JWP - AKG C5 H6 O5 C(CC(=O)O)....
2 3D8C - AKG C5 H6 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 4 families.
1 5JWP - AKG C5 H6 O5 C(CC(=O)O)....
2 3D8C - AKG C5 H6 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 3 families.
1 5JWP - AKG C5 H6 O5 C(CC(=O)O)....
2 3D8C - 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 : 5JWP; 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: 1) in the query (biounit: 5jwp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5JWP; 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: 5jwp.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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