Receptor
PDB id Resolution Class Description Source Keywords
5DKK 2.5 Å NON-ENZYME: OTHER STRUCTURE OF THE DARK-STATE MONOMER OF THE BLUE LIGHT PHOTOR AUREOCHROME 1A LOV FROM P. TRICORNUTUM PHAEODACTYLUM TRICORNUTUM LOV DNA BINDING PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTETRANSCRIPTION
Ref.: BLUE LIGHT-INDUCED LOV DOMAIN DIMERIZATION ENHANCES AFFINITY OF AUREOCHROME 1A FOR ITS TARGET DNA SEQUE ELIFE V. 5 11860 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:401;
B:500;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
ACT A:402;
A:403;
Invalid;
Invalid;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
EDO A:404;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5DKK 2.5 Å NON-ENZYME: OTHER STRUCTURE OF THE DARK-STATE MONOMER OF THE BLUE LIGHT PHOTOR AUREOCHROME 1A LOV FROM P. TRICORNUTUM PHAEODACTYLUM TRICORNUTUM LOV DNA BINDING PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTETRANSCRIPTION
Ref.: BLUE LIGHT-INDUCED LOV DOMAIN DIMERIZATION ENHANCES AFFINITY OF AUREOCHROME 1A FOR ITS TARGET DNA SEQUE ELIFE V. 5 11860 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 5DKK - 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 1205 families.
1 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 6GB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6GAY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6GBV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6GBA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2PR5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1N9N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 4R38 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
20 2Z6D - 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 : 5DKK; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 5dkk.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3P7N FMN 44.8276
2 4WUJ FMN 46.2069
Pocket No.: 2; Query (leader) PDB : 5DKK; 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: 5dkk.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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