Receptor
PDB id Resolution Class Description Source Keywords
1BRW 2.1 Å EC: 2.4.2.2 THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION GEOBACILLUS STEAROTHERMOPHILUS NUCLEOSIDE PHOSPHORYLASE DOMAIN MOVEMENT TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION. STRUCTURE V. 6 1467 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:3001;
B:3002;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MES A:6002;
B:6001;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
PO4 A:2001;
B:2002;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
URA B:5001;
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
1BRW 2.1 Å EC: 2.4.2.2 THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION GEOBACILLUS STEAROTHERMOPHILUS NUCLEOSIDE PHOSPHORYLASE DOMAIN MOVEMENT TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF PYRIMIDINE NUCLEOSIDE PHOSPHORYLASE IN A CLOSED CONFORMATION. STRUCTURE V. 6 1467 1998
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1BRW - 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 1 families.
1 1BRW - URA C4 H4 N2 O2 C1=CNC(=O)....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4LHM Ki = 0.68 mM AZZ C10 H13 N5 O4 CC1=CN(C(=....
2 4YYY - URI C9 H12 N2 O6 C1=CN(C(=O....
3 1BRW - URA C4 H4 N2 O2 C1=CNC(=O)....
4 2WK6 Ki = 0.48 mM IUR C4 H3 I N2 O2 C1=C(C(=O)....
5 2J0F - TDR C5 H6 N2 O2 CC1=CNC(=O....
6 1UOU Ki = 20 nM CMU C9 H11 Cl N4 O2 [H]/N=C1/C....
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 : 1BRW; 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: 1) in the query (biounit: 1brw.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
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