Receptor
PDB id Resolution Class Description Source Keywords
3KV5 2.39 Å NON-ENZYME: OTHER STRUCTURE OF KIAA1718, HUMAN JUMONJI DEMETHYLASE, IN COMPLEX WITH N-OXALYLGLYCINE HOMO SAPIENS EPIGENETICS HISTONE CODE JUMONJI LYSINE DEMETHYLASE METAL-BINDING ZINC ZINC-FINGER
Ref.: ENZYMATIC AND STRUCTURAL INSIGHTS FOR SUBSTRATE SPECIFICITY OF A FAMILY OF JUMONJI HISTONE LYSINE DEMETHYLASES. NAT.STRUCT.MOL.BIOL. V. 17 38 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE2 A:491;
A:492;
D:491;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
55.845 Fe [Fe+2...
OGA A:5798;
Valid;
none;
submit data
147.086 C4 H5 N O5 C(C(=...
SO4 A:493;
D:492;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:489;
A:490;
D:489;
D:490;
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
3KV5 2.39 Å NON-ENZYME: OTHER STRUCTURE OF KIAA1718, HUMAN JUMONJI DEMETHYLASE, IN COMPLEX WITH N-OXALYLGLYCINE HOMO SAPIENS EPIGENETICS HISTONE CODE JUMONJI LYSINE DEMETHYLASE METAL-BINDING ZINC ZINC-FINGER
Ref.: ENZYMATIC AND STRUCTURAL INSIGHTS FOR SUBSTRATE SPECIFICITY OF A FAMILY OF JUMONJI HISTONE LYSINE DEMETHYLASES. NAT.STRUCT.MOL.BIOL. V. 17 38 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 3KV5 - OGA C4 H5 N O5 C(C(=O)O)N....
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 3KV5 - OGA C4 H5 N O5 C(C(=O)O)N....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 3KV5 - OGA C4 H5 N O5 C(C(=O)O)N....
2 3PU3 - OGA C4 H5 N O5 C(C(=O)O)N....
3 3PUS - OGA C4 H5 N O5 C(C(=O)O)N....
4 3PU8 - OGA C4 H5 N O5 C(C(=O)O)N....
5 3PUA - OGA C4 H5 N O5 C(C(=O)O)N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OGA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OGA 1 1
2 AAC 0.461538 0.827586
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3KV5; Ligand: OGA; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 3kv5.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3N9Q OGA 47.9508
2 3N9O OGA 47.9508
3 3N9P OGA 47.9508
4 3PUR 2HG 47.9508
Pocket No.: 2; Query (leader) PDB : 3KV5; Ligand: OGA; 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: 3kv5.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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