Receptor
PDB id Resolution Class Description Source Keywords
3W9Z 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF DUSC ESCHERICHIA COLI TIM BARREL REDUCTASE TRNA OXIDOREDUCTASE
Ref.: STRUCTURE OF DIHYDROURIDINE SYNTHASE C (DUSC) FROM ESCHERICHIA COLI ACTA CRYSTALLOGR.,SECT.F V. 69 834 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:401;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3W9Z 2.1 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF DUSC ESCHERICHIA COLI TIM BARREL REDUCTASE TRNA OXIDOREDUCTASE
Ref.: STRUCTURE OF DIHYDROURIDINE SYNTHASE C (DUSC) FROM ESCHERICHIA COLI ACTA CRYSTALLOGR.,SECT.F V. 69 834 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 293 families.
1 3W9Z - 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 250 families.
1 3W9Z - 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 204 families.
1 3W9Z - 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 : 3W9Z; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 3w9z.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 4XP7 FNR 36.9565
2 1VHN FMN 37.4214
APoc FAQ
Feedback