Receptor
PDB id Resolution Class Description Source Keywords
3NNF 2.2 Å NON-ENZYME: OTHER HALOGENASE DOMAIN FROM CURA MODULE WITH FE, CHLORIDE, AND AL KETOGLUTARATE LYNGBYA MAJUSCULA NON-HAEM FE(II)/ALPHA-KETOGLUTARATE-DEPENDENT ENZYMES CATALCRYPTIC CHLORINATION BIOSYNTHETIC PROTEIN
Ref.: CONFORMATIONAL SWITCH TRIGGERED BY ALPHA-KETOGLUTAR HALOGENASE OF CURACIN A BIOSYNTHESIS PROC.NATL.ACAD.SCI.USA V. 107 14099 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AKG A:500;
Valid;
none;
submit data
146.098 C5 H6 O5 C(CC(...
CL A:321;
Invalid;
none;
submit data
35.453 Cl [Cl-]
FE A:600;
Part of Protein;
none;
submit data
55.845 Fe [Fe+3...
FMT A:750;
A:751;
A:752;
A:753;
A:754;
A:755;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3NNF 2.2 Å NON-ENZYME: OTHER HALOGENASE DOMAIN FROM CURA MODULE WITH FE, CHLORIDE, AND AL KETOGLUTARATE LYNGBYA MAJUSCULA NON-HAEM FE(II)/ALPHA-KETOGLUTARATE-DEPENDENT ENZYMES CATALCRYPTIC CHLORINATION BIOSYNTHETIC PROTEIN
Ref.: CONFORMATIONAL SWITCH TRIGGERED BY ALPHA-KETOGLUTAR HALOGENASE OF CURACIN A BIOSYNTHESIS PROC.NATL.ACAD.SCI.USA V. 107 14099 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3NNF - 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 1205 families.
1 3NNF - 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 1039 families.
1 3NNF - 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 : 3NNF; 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: 3nnf.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3NNF; 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: 3nnf.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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