Receptor
PDB id Resolution Class Description Source Keywords
4YGM 1.85 Å EC: 3.2.2.27 VACCINIA VIRUS HIS-D4/A20(1-50) IN COMPLEX WITH URACIL VACCINIA VIRUS (STRAIN COPENHAGEN) URACIL DNA GLYCOSIDASE VIRUS REPLICATION HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE VACCINIA VIRUS URACIL-DNA GLYCOSYLASE IN COMPLEX WITH DNA. J.BIOL.CHEM. V. 290 17923 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:303;
B:301;
B:304;
A:302;
A:301;
B:302;
B:303;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
URA B:305;
A:304;
Valid;
Valid;
none;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YGM 1.85 Å EC: 3.2.2.27 VACCINIA VIRUS HIS-D4/A20(1-50) IN COMPLEX WITH URACIL VACCINIA VIRUS (STRAIN COPENHAGEN) URACIL DNA GLYCOSIDASE VIRUS REPLICATION HYDROLASE
Ref.: CRYSTAL STRUCTURE OF THE VACCINIA VIRUS URACIL-DNA GLYCOSYLASE IN COMPLEX WITH DNA. J.BIOL.CHEM. V. 290 17923 2015
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4YGM - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4YGM - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4YGM - URA C4 H4 N2 O2 C1=CNC(=O)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: URA; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 URA 1 1
2 TUL 0.5 0.725
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YGM; Ligand: URA; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 4ygm.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5H9I XAN 5.17241
2 4WS6 WBU 34.874
Pocket No.: 2; Query (leader) PDB : 4YGM; Ligand: URA; 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: 4ygm.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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