Receptor
PDB id Resolution Class Description Source Keywords
5XLS 2.5 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF URAA IN OCCLUDED CONFORMATION ESCHERICHIA COLI O157:H7 OCCLUDED CONFORMATION DIMER TRANSPORT PROTEIN
Ref.: DIMERIC STRUCTURE OF THE URACIL:PROTON SYMPORTER UR PROVIDES MECHANISTIC INSIGHTS INTO THE SLC4/23/26 TRANSPORTERS CELL RES. V. 27 1020 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
KEG A:502;
A:503;
Invalid;
Invalid;
none;
none;
submit data
2877.03 O40 P W12 O=[W]...
URA A:501;
Valid;
none;
submit data
112.087 C4 H4 N2 O2 C1=CN...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5XLS 2.5 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF URAA IN OCCLUDED CONFORMATION ESCHERICHIA COLI O157:H7 OCCLUDED CONFORMATION DIMER TRANSPORT PROTEIN
Ref.: DIMERIC STRUCTURE OF THE URACIL:PROTON SYMPORTER UR PROVIDES MECHANISTIC INSIGHTS INTO THE SLC4/23/26 TRANSPORTERS CELL RES. V. 27 1020 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5XLS - 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 217 families.
1 5XLS - 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 181 families.
1 5XLS - 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 : 5XLS; Ligand: URA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 5xls.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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