Receptor
PDB id Resolution Class Description Source Keywords
3R5Y 1.8 Å NON-ENZYME: OTHER STRUCTURE OF A DEAZAFLAVIN-DEPENDENT NITROREDUCTASE FROM NOC FARCINICA, WITH CO-FACTOR F420 NOCARDIA FARCINICA PA-824 NITROIMIDAZOLES SPLIT BARREL-LIKE FOLD DUF385 DEADEPENDENT NITROREDUCTASE F420 UNKNOWN FUNCTION
Ref.: STRUCTURE OF DDN, THE DEAZAFLAVIN-DEPENDENT NITRORE FROM MYCOBACTERIUM TUBERCULOSIS INVOLVED IN BIOREDU ACTIVATION OF PA-824. STRUCTURE V. 20 101 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
F42 A:147;
B:147;
C:147;
D:147;
 Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
 submit data
773.593 C29 H36 N5 O18 P C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3R5Y 1.8 Å NON-ENZYME: OTHER STRUCTURE OF A DEAZAFLAVIN-DEPENDENT NITROREDUCTASE FROM NOC FARCINICA, WITH CO-FACTOR F420 NOCARDIA FARCINICA PA-824 NITROIMIDAZOLES SPLIT BARREL-LIKE FOLD DUF385 DEADEPENDENT NITROREDUCTASE F420 UNKNOWN FUNCTION
Ref.: STRUCTURE OF DDN, THE DEAZAFLAVIN-DEPENDENT NITRORE FROM MYCOBACTERIUM TUBERCULOSIS INVOLVED IN BIOREDU ACTIVATION OF PA-824. STRUCTURE V. 20 101 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3R5Y - F42 C29 H36 N5 O18 P C[C@@H](C(....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3R5Y - F42 C29 H36 N5 O18 P C[C@@H](C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3R5Z - F42 C29 H36 N5 O18 P C[C@@H](C(....
2 3R5Y - F42 C29 H36 N5 O18 P C[C@@H](C(....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: F42; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 F42 1 1
2 6J4 1 1
3 QMD 0.634146 0.935897
4 HDF 0.508333 0.833333
5 FO1 0.508333 0.833333
6 9O9 0.431818 0.9
Similar Ligands (3D)
Ligand no: 1; Ligand: F42; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3R5Y; Ligand: F42; 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: 3r5y.bio4) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3R5Y; Ligand: F42; 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: 3r5y.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3R5Y; Ligand: F42; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3r5y.bio3) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3R5Y; Ligand: F42; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3r5y.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback