Receptor
PDB id Resolution Class Description Source Keywords
3QDL 2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF RDXA FROM HELICOBACTER PYROLI HELICOBACTER PYLORI OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURE OF RDXA--AN OXYGEN-INSENSITIVE NITROREDUC ESSENTIAL FOR METRONIDAZOLE ACTIVATION IN HELICOBAC PYLORI. FEBS J. V. 279 4306 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:300;
B:300;
C:300;
D:300;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
GOL A:211;
D:211;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3QDL 2 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF RDXA FROM HELICOBACTER PYROLI HELICOBACTER PYLORI OXYGEN-INSENSITIVE NAD(P)H NITROREDUCTASE OXIDOREDUCTASE
Ref.: STRUCTURE OF RDXA--AN OXYGEN-INSENSITIVE NITROREDUC ESSENTIAL FOR METRONIDAZOLE ACTIVATION IN HELICOBAC PYLORI. FEBS J. V. 279 4306 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 3QDL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 3QDL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 3QDL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3QDL; Ligand: FMN; Similar sites found with APoc: 5
This union binding pocket(no: 1) in the query (biounit: 3qdl.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1ICV FMN 37.619
2 1KQB BEZ 40.4762
3 1KQB FMN 40.4762
4 1V5Y 4HC 44.2857
5 1V5Y FMN 44.2857
Pocket No.: 2; Query (leader) PDB : 3QDL; Ligand: FMN; 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: 3qdl.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3QDL; Ligand: FMN; 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: 3qdl.bio3) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3QDL; Ligand: FMN; 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: 3qdl.bio3) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3QDL; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3qdl.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3QDL; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3qdl.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 3QDL; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 3qdl.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 3QDL; Ligand: FMN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 3qdl.bio2) has 24 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback