Receptor
PDB id Resolution Class Description Source Keywords
2F67 1.6 Å EC: 2.4.2.6 CRYSTAL STRUCTURE OF NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE FR TRYPANOSOMA BRUCEI AT 1.6 A RESOLUTION WITH BENZO[CD]INDOL-B OUND TRYPANOSOMA BRUCEI SGPP STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVENUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE TRYPANOSOMA BRUCEI SGENOMICS OF PATHOGENIC PROTOZOA CONSORTIUM TRANSFERASE
Ref.: USING FRAGMENT COCKTAIL CRYSTALLOGRAPHY TO ASSIST I DESIGN OF TRYPANOSOMA BRUCEI NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE. J.MED.CHEM. V. 49 5939 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
12B A:382;
B:372;
Valid;
Valid;
none;
none;
submit data
169.179 C11 H7 N O c1cc2...
GOL A:372;
B:382;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:361;
A:381;
B:371;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2F67 1.6 Å EC: 2.4.2.6 CRYSTAL STRUCTURE OF NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE FR TRYPANOSOMA BRUCEI AT 1.6 A RESOLUTION WITH BENZO[CD]INDOL-B OUND TRYPANOSOMA BRUCEI SGPP STRUCTURAL GENOMICS PSI PROTEIN STRUCTURE INITIATIVENUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE TRYPANOSOMA BRUCEI SGENOMICS OF PATHOGENIC PROTOZOA CONSORTIUM TRANSFERASE
Ref.: USING FRAGMENT COCKTAIL CRYSTALLOGRAPHY TO ASSIST I DESIGN OF TRYPANOSOMA BRUCEI NUCLEOSIDE 2-DEOXYRIBOSYLTRANSFERASE. J.MED.CHEM. V. 49 5939 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2F67 - 12B C11 H7 N O c1cc2cccc3....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2F67 - 12B C11 H7 N O c1cc2cccc3....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 2F67 - 12B C11 H7 N O c1cc2cccc3....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 12B; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 12B 1 1
2 18N 0.512195 0.724138
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2F67; Ligand: 12B; 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: 2f67.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2F67; Ligand: 12B; 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: 2f67.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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