Receptor
PDB id Resolution Class Description Source Keywords
4EER 1.75 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF LOV2 DOMAIN OF ARABIDOPSIS THALIANA PHO C426A MUTANT ARABIDOPSIS THALIANA LOV BLUE LIGHT PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTE
Ref.: STRUCTURAL TUNING OF THE FLUORESCENT PROTEIN ILOV F IMPROVED PHOTOSTABILITY. J.BIOL.CHEM. V. 287 22295 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1001;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EES 1.8 Å EC: 2.7.11.1 CRYSTAL STRUCTURE OF ILOV ARABIDOPSIS THALIANA LOV BLUE LIGHT PHOTORECEPTOR SIGNALING PROTEIN FLAVOPROTE
Ref.: STRUCTURAL TUNING OF THE FLUORESCENT PROTEIN ILOV F IMPROVED PHOTOSTABILITY. J.BIOL.CHEM. V. 287 22295 2012
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 6QQJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6S45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 6QQK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 6QSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 6QQH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 6QQI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 6GPU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6GPV - LUM C12 H10 N4 O2 Cc1cc2c(cc....
50% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6T74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6GB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6GAY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6GBV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 6GBA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2PR5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1N9N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 6GG9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 6RHG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 6RHF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 6QQJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 6S45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 6QQK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 6QSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 6QQH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 6QQI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 6I25 - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
30 6I21 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
31 6I22 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 6I23 - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
33 6I24 - 5DD C18 H24 N3 O9 P Cc1cc2c(cc....
34 5SVV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 5SVW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 4R38 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
37 6GPU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 6GPV - LUM C12 H10 N4 O2 Cc1cc2c(cc....
39 2Z6D - 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 : 4EES; Ligand: FMN; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 4ees.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 6RQP OLC 5.21739
2 4HIA FMN 49.5652
3 4HIA FMN 49.5652
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