Receptor
PDB id Resolution Class Description Source Keywords
6W6Z 1.71 Å NON-ENZYME: OTHER BLSA GROUND STATE ACINETOBACTER BAUMANNII BLUF PHOTORECEPTOR FLAVOPROTEIN
Ref.: STRUCTURAL BASIS FOR THE REGULATION OF BIOFILM FORM IRON UPTAKE IN A. BAUMANNII BY THE BLUE-LIGHT-USING PHOTORECEPTOR, BLSA. ACS INFECT DIS. V. 6 2592 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:201;
 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
6W6Z 1.71 Å NON-ENZYME: OTHER BLSA GROUND STATE ACINETOBACTER BAUMANNII BLUF PHOTORECEPTOR FLAVOPROTEIN
Ref.: STRUCTURAL BASIS FOR THE REGULATION OF BIOFILM FORM IRON UPTAKE IN A. BAUMANNII BY THE BLUE-LIGHT-USING PHOTORECEPTOR, BLSA. ACS INFECT DIS. V. 6 2592 2020
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6W6Z - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6W72 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6W6Z - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6W72 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
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 6W6Z - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6W72 - 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)
Pocket No.: 1; Query (leader) PDB : 6W6Z; Ligand: FMN; Similar sites found with APoc: 32
This union binding pocket(no: 1) in the query (biounit: 6w6z.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4YUS FMN 39.1026
2 1X0P FAD 42.6573
3 1X0P FAD 42.6573
4 1X0P FAD 42.6573
5 1X0P FAD 42.6573
6 1X0P FAD 42.6573
7 1X0P FAD 42.6573
8 1X0P FAD 42.6573
9 1X0P FAD 42.6573
10 1X0P FAD 42.6573
11 1X0P FAD 42.6573
12 1YRX FMN 45.2174
13 1YRX FMN 45.2174
14 1YRX FMN 45.2174
15 1YRX FMN 45.2174
16 1YRX FMN 45.2174
17 1YRX FMN 45.2174
18 1YRX FMN 45.2174
19 2HFN FMN 46.4052
20 2HFN FMN 46.4052
21 2HFN FMN 46.4052
22 2HFN FMN 46.4052
23 2HFN FMN 46.4052
24 2HFN FMN 46.4052
25 2HFN FMN 46.4052
26 2HFN FMN 46.4052
27 2HFN FMN 46.4052
28 2HFN FMN 46.4052
29 2IYG FMN 47.2222
30 2IYG FMN 47.2222
31 5MBC FMN 47.4359
32 5MBC FMN 47.4359
APoc FAQ
Feedback