Receptor
PDB id Resolution Class Description Source Keywords
3WIS 1.9 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF BURKHOLDERIA XENOVORANS DMRB IN COMPLEX A CUBIC PROTEIN CAGE FOR REDOX TRANSFER BURKHOLDERIA XENOVORANS METHANOPTERIN DIHYDROMETHANOPTERIN REDUCTASE FLAVIN PROTEOXIDOREDUCTASE
Ref.: STRUCTURE OF DIHYDROMETHANOPTERIN REDUCTASE, A CUBI CAGE FOR REDOX TRANSFER J.BIOL.CHEM. V. 289 8852 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:206;
A:205;
A:203;
A:204;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
FMN A:201;
A:202;
 Valid;
Valid;
 none;
none;
 Kd = 40 nM
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WIS 1.9 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF BURKHOLDERIA XENOVORANS DMRB IN COMPLEX A CUBIC PROTEIN CAGE FOR REDOX TRANSFER BURKHOLDERIA XENOVORANS METHANOPTERIN DIHYDROMETHANOPTERIN REDUCTASE FLAVIN PROTEOXIDOREDUCTASE
Ref.: STRUCTURE OF DIHYDROMETHANOPTERIN REDUCTASE, A CUBI CAGE FOR REDOX TRANSFER J.BIOL.CHEM. V. 289 8852 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 3WIS Kd = 40 nM 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 337 families.
1 3WIS Kd = 40 nM 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 225 families.
1 3WIS Kd = 40 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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