Receptor
PDB id Resolution Class Description Source Keywords
6IOA 2.15 Å EC: 2.7.7.7 THE STRUCTURE OF UDGX IN COMPLEX WITH URACIL MYCOBACTERIUM SMEGMATIS MC2 155 URACIL DNA GLYCOSYLASE DNA REPAIR IRON-SULFUR HYDROLASE
Ref.: SUICIDE INACTIVATION OF THE URACIL DNA GLYCOSYLASE COVALENT COMPLEX FORMATION. NAT.CHEM.BIOL. V. 15 615 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SF4 A:301;
Part of Protein;
none;
submit data
351.64 Fe4 S4 [S]12...
SO4 A:303;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
URA A:302;
Valid;
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
6AJP 1.33 Å EC: 2.7.7.7 COMPLEX FORM OF URACIL DNA GLYCOSYLASE X AND DEOXYURIDINE MONOPHOSPHATE. MYCOBACTERIUM SMEGMATIS MC2 155 DNA REPAIR BASE EXCISION DNA-PROTEIN CROSSLINK. DNA BINDIPROTEIN
Ref.: COVALENT BINDING OF URACIL DNA GLYCOSYLASE UDGX TO DNA UPON URACIL EXCISION. NAT.CHEM.BIOL. V. 15 607 2019
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 6IOB - URA C4 H4 N2 O2 C1=CNC(=O)....
2 6AJR - URA C4 H4 N2 O2 C1=CNC(=O)....
3 6AJP - DU C9 H13 N2 O8 P C1[C@@H]([....
4 6IOA - URA C4 H4 N2 O2 C1=CNC(=O)....
5 6IOC - URA C4 H4 N2 O2 C1=CNC(=O)....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6IOB - URA C4 H4 N2 O2 C1=CNC(=O)....
2 6AJR - URA C4 H4 N2 O2 C1=CNC(=O)....
3 6AJP - DU C9 H13 N2 O8 P C1[C@@H]([....
4 6IOA - URA C4 H4 N2 O2 C1=CNC(=O)....
5 6IOC - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 6IOB - URA C4 H4 N2 O2 C1=CNC(=O)....
2 6AJR - URA C4 H4 N2 O2 C1=CNC(=O)....
3 6AJP - DU C9 H13 N2 O8 P C1[C@@H]([....
4 6IOA - URA C4 H4 N2 O2 C1=CNC(=O)....
5 6IOC - 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 : 6AJP; Ligand: DU; 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: 6ajp.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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