Receptor
PDB id Resolution Class Description Source Keywords
2RDQ 1.31 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF PTLH WITH FE/ALPHA KETOGLUTARATE BOUND STREPTOMYCES AVERMITILIS DOUBLE STRANDED BARREL HELIX DIOXYGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE NON-HEME IRON DIOXYGENASE PENTALENOLACTONE BIOSYNTHESIS. J.BIOL.CHEM. V. 282 36552 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:269;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
FE A:1;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
MG A:267;
A:268;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2RDQ 1.31 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF PTLH WITH FE/ALPHA KETOGLUTARATE BOUND STREPTOMYCES AVERMITILIS DOUBLE STRANDED BARREL HELIX DIOXYGENASE OXIDOREDUCTASE
Ref.: CRYSTAL STRUCTURE OF THE NON-HEME IRON DIOXYGENASE PENTALENOLACTONE BIOSYNTHESIS. J.BIOL.CHEM. V. 282 36552 2007
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 2RDR - OGA C4 H5 N O5 C(C(=O)O)N....
2 2RDS - OGA C4 H5 N O5 C(C(=O)O)N....
3 2RDN - AKG C5 H6 O5 C(CC(=O)O)....
4 2RDQ - AKG C5 H6 O5 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 280 families.
1 2RDR - OGA C4 H5 N O5 C(C(=O)O)N....
2 2RDS - OGA C4 H5 N O5 C(C(=O)O)N....
3 2RDN - AKG C5 H6 O5 C(CC(=O)O)....
4 2RDQ - AKG C5 H6 O5 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 187 families.
1 2RDR - OGA C4 H5 N O5 C(C(=O)O)N....
2 2RDS - OGA C4 H5 N O5 C(C(=O)O)N....
3 2RDN - AKG C5 H6 O5 C(CC(=O)O)....
4 2RDQ - 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 : 2RDQ; 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: 2rdq.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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